N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone

C144H186N20O18 — CID 158202579

About N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone

N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone (PubChem CID 158202579) has the molecular formula C144H186N20O18 and a molecular weight of 2485.19 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone.

Molecular Properties

• Compound Name: N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone
• PubChem CID: 158202579
• Molecular Formula: C144H186N20O18
• Molecular Weight: 2485.19 g/mol
• Exact Mass: 2483.43
• IUPAC Name: N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone
• SMILES: CC(C)n1cc2c(n1)CC(CC(=O)c1cc(C3CC3)on1)CC2.CC1CCC(C(=O)N2CCC([C@@H](C)CC(=O)c3cc(C4CC4)on3)CC2)CC1.C[C@@H](CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)CC2CCCCC2)CC1.C[C@H](CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)CC2CCCCC2)CC1.NC(CCc1ccccn1)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1.NC(CCc1cccnc1)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1.NCc1ccc(NC(=O)c2cc(C3CC3)on2)c(CO)c1
• InChI: InChI=1S/3C23H34N2O3.2C21H22N4O2.C18H23N3O2.C15H17N3O3/c1-15-3-5-19(6-4-15)23(27)25-11-9-17(10-12-25)16(2)13-21(26)20-14-22(28-24-20)18-7-8-18;2*1-16(13-21(26)20-15-22(28-24-20)19-7-8-19)18-9-11-25(12-10-18)23(27)14-17-5-3-2-4-6-17;22-18(10-3-14-2-1-11-23-13-14)15-6-8-17(9-7-15)24-21(26)19-12-20(27-25-19)16-4-5-16;22-18(11-10-16-3-1-2-12-23-16)14-6-8-17(9-7-14)24-21(26)19-13-20(27-25-19)15-4-5-15;1-11(2)21-10-14-4-3-12(7-15(14)19-21)8-17(22)16-9-18(23-20-16)13-5-6-13;16-7-9-1-4-12(11(5-9)8-19)17-15(20)13-6-14(21-18-13)10-2-3-10/h14-19H,3-13H2,1-2H3;2*15-19H,2-14H2,1H3;1-2,6-9,11-13,16,18H,3-5,10,22H2,(H,24,26);1-3,6-9,12-13,15,18H,4-5,10-11,22H2,(H,24,26);9-13H,3-8H2,1-2H3;1,4-6,10,19H,2-3,7-8,16H2,(H,17,20)/t15?,16-,19?;2*16-;;;;/m010..../s1
• InChIKey: GBCRRCZZCLLMAZ-SPYGHBQRSA-N
• XLogP: 27.89
• TPSA: 540.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 44
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2485.19
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone?

The IUPAC name of N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone (CID 158202579) is N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone.

What is the SMILES notation for N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone?

The canonical SMILES for N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone is CC(C)n1cc2c(n1)CC(CC(=O)c1cc(C3CC3)on1)CC2.CC1CCC(C(=O)N2CCC([C@@H](C)CC(=O)c3cc(C4CC4)on3)CC2)CC1.C[C@@H](CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)CC2CCCCC2)CC1.C[C@H](CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)CC2CCCCC2)CC1.NC(CCc1ccccn1)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1.NC(CCc1cccnc1)c1ccc(NC(=O)c2cc(C3CC3)on2)cc1.NCc1ccc(NC(=O)c2cc(C3CC3)on2)c(CO)c1.

What is the InChIKey of N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone?

The InChIKey is GBCRRCZZCLLMAZ-SPYGHBQRSA-N. The full InChI is InChI=1S/3C23H34N2O3.2C21H22N4O2.C18H23N3O2.C15H17N3O3/c1-15-3-5-19(6-4-15)23(27)25-11-9-17(10-12-25)16(2)13-21(26)20-14-22(28-24-20)18-7-8-18;2*1-16(13-21(26)20-15-22(28-24-20)19-7-8-19)18-9-11-25(12-10-18)23(27)14-17-5-3-2-4-6-17;22-18(10-3-14-2-1-11-23-13-14)15-6-8-17(9-7-15)24-21(26)19-12-20(27-25-19)16-4-5-16;22-18(11-10-16-3-1-2-12-23-16)14-6-8-17(9-7-14)24-21(26)19-13-20(27-25-19)15-4-5-15;1-11(2)21-10-14-4-3-12(7-15(14)19-21)8-17(22)16-9-18(23-20-16)13-5-6-13;16-7-9-1-4-12(11(5-9)8-19)17-15(20)13-6-14(21-18-13)10-2-3-10/h14-19H,3-13H2,1-2H3;2*15-19H,2-14H2,1H3;1-2,6-9,11-13,16,18H,3-5,10,22H2,(H,24,26);1-3,6-9,12-13,15,18H,4-5,10-11,22H2,(H,24,26);9-13H,3-8H2,1-2H3;1,4-6,10,19H,2-3,7-8,16H2,(H,17,20)/t15?,16-,19?;2*16-;;;;/m010..../s1.

What are the key properties of N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone?

N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone has a molecular weight of 2485.19 g/mol, XLogP of 27.89, 44 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(aminomethyl)-2-(hydroxymethyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-2-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(1-amino-3-pyridin-3-ylpropyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;(3S)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;(3S)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]butan-1-one;1-(5-cyclopropyl-1,2-oxazol-3-yl)-2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)ethanone is sourced from PubChem (CID 158202579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).