N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C114H162N18O16 — CID 159213824

IUPACN-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)NC1CCC(N(CC(C)C)C(=O)c2cc(C3CC3)on2)CC1.CCCC(=O)NC1CCC(N(CCOC)C(=O)c2cc(C3CC3)on2)CC1.C[C@@H](N)CC(=O)NC1CCC(N(CCc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1.C[C@@H](N)CC(=O)NC1CCC(N(Cc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1.NCCC(=O)NC1CCC(N(CCc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C25H34N4O3.2C24H32N4O3.C21H33N3O3.C20H31N3O4/c1-17(26)15-24(30)27-20-9-11-21(12-10-20)29(14-13-18-5-3-2-4-6-18)25(31)22-16-23(32-28-22)19-7-8-19;1-16(25)13-23(29)26-19-9-11-20(12-10-19)28(15-17-5-3-2-4-6-17)24(30)21-14-22(31-27-21)18-7-8-18;25-14-12-23(29)26-19-8-10-20(11-9-19)28(15-13-17-4-2-1-3-5-17)24(30)21-16-22(31-27-21)18-6-7-18;1-4-5-20(25)22-16-8-10-17(11-9-16)24(13-14(2)3)21(26)18-12-19(27-23-18)15-6-7-15;1-3-4-19(24)21-15-7-9-16(10-8-15)23(11-12-26-2)20(25)17-13-18(27-22-17)14-5-6-14/h2-6,16-17,19-21H,7-15,26H2,1H3,(H,27,30);2-6,14,16,18-20H,7-13,15,25H2,1H3,(H,26,29);1-5,16,18-20H,6-15,25H2,(H,26,29);12,14-17H,4-11,13H2,1-3H3,(H,22,25);13-16H,3-12H2,1-2H3,(H,21,24)/t17-,20?,21?;16-,19?,20?;;;/m11.../s1
InChIKeyKQVBNZUZOOIDCA-MYDUGXSFSA-N
MW2040.66 g/mol
LogP16.52
Rot. Bonds43

About N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 159213824) has the molecular formula C114H162N18O16 and a molecular weight of 2040.66 g/mol. Its IUPAC name is N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID159213824
Molecular FormulaC114H162N18O16
Molecular Weight2040.66 g/mol
Exact Mass2039.24
IUPAC NameN-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCCC(=O)NC1CCC(N(CC(C)C)C(=O)c2cc(C3CC3)on2)CC1.CCCC(=O)NC1CCC(N(CCOC)C(=O)c2cc(C3CC3)on2)CC1.C[C@@H](N)CC(=O)NC1CCC(N(CCc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1.C[C@@H](N)CC(=O)NC1CCC(N(Cc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1.NCCC(=O)NC1CCC(N(CCc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C25H34N4O3.2C24H32N4O3.C21H33N3O3.C20H31N3O4/c1-17(26)15-24(30)27-20-9-11-21(12-10-20)29(14-13-18-5-3-2-4-6-18)25(31)22-16-23(32-28-22)19-7-8-19;1-16(25)13-23(29)26-19-9-11-20(12-10-19)28(15-17-5-3-2-4-6-17)24(30)21-14-22(31-27-21)18-7-8-18;25-14-12-23(29)26-19-8-10-20(11-9-19)28(15-13-17-4-2-1-3-5-17)24(30)21-16-22(31-27-21)18-6-7-18;1-4-5-20(25)22-16-8-10-17(11-9-16)24(13-14(2)3)21(26)18-12-19(27-23-18)15-6-7-15;1-3-4-19(24)21-15-7-9-16(10-8-15)23(11-12-26-2)20(25)17-13-18(27-22-17)14-5-6-14/h2-6,16-17,19-21H,7-15,26H2,1H3,(H,27,30);2-6,14,16,18-20H,7-13,15,25H2,1H3,(H,26,29);1-5,16,18-20H,6-15,25H2,(H,26,29);12,14-17H,4-11,13H2,1-3H3,(H,22,25);13-16H,3-12H2,1-2H3,(H,21,24)/t17-,20?,21?;16-,19?,20?;;;/m11.../s1
InChIKeyKQVBNZUZOOIDCA-MYDUGXSFSA-N
XLogP16.52
TPSA464.49 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds43
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002040.66
LogP ≤ 516.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 159213824) is N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CCCC(=O)NC1CCC(N(CC(C)C)C(=O)c2cc(C3CC3)on2)CC1.CCCC(=O)NC1CCC(N(CCOC)C(=O)c2cc(C3CC3)on2)CC1.C[C@@H](N)CC(=O)NC1CCC(N(CCc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1.C[C@@H](N)CC(=O)NC1CCC(N(Cc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1.NCCC(=O)NC1CCC(N(CCc2ccccc2)C(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KQVBNZUZOOIDCA-MYDUGXSFSA-N. The full InChI is InChI=1S/C25H34N4O3.2C24H32N4O3.C21H33N3O3.C20H31N3O4/c1-17(26)15-24(30)27-20-9-11-21(12-10-20)29(14-13-18-5-3-2-4-6-18)25(31)22-16-23(32-28-22)19-7-8-19;1-16(25)13-23(29)26-19-9-11-20(12-10-19)28(15-17-5-3-2-4-6-17)24(30)21-14-22(31-27-21)18-7-8-18;25-14-12-23(29)26-19-8-10-20(11-9-19)28(15-13-17-4-2-1-3-5-17)24(30)21-16-22(31-27-21)18-6-7-18;1-4-5-20(25)22-16-8-10-17(11-9-16)24(13-14(2)3)21(26)18-12-19(27-23-18)15-6-7-15;1-3-4-19(24)21-15-7-9-16(10-8-15)23(11-12-26-2)20(25)17-13-18(27-22-17)14-5-6-14/h2-6,16-17,19-21H,7-15,26H2,1H3,(H,27,30);2-6,14,16,18-20H,7-13,15,25H2,1H3,(H,26,29);1-5,16,18-20H,6-15,25H2,(H,26,29);12,14-17H,4-11,13H2,1-3H3,(H,22,25);13-16H,3-12H2,1-2H3,(H,21,24)/t17-,20?,21?;16-,19?,20?;;;/m11.../s1.
What are the key properties of N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 2040.66 g/mol, XLogP of 16.52, 43 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-N-benzyl-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-[[(3R)-3-aminobutanoyl]amino]cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(3-aminopropanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;N-[4-(butanoylamino)cyclohexyl]-5-cyclopropyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159213824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).