5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide

C27H34F2N4O5 — CID 175092999

About 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide

5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 175092999) has the molecular formula C27H34F2N4O5 and a molecular weight of 532.59 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 175092999
• Molecular Formula: C27H34F2N4O5
• Molecular Weight: 532.59 g/mol
• Exact Mass: 532.25
• IUPAC Name: 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
• SMILES: CC(N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NCC1CCN(C(=O)C2CC2)CC1
• InChI: InChI=1S/C27H34F2N4O5/c1-15(30)23-22(24(34)31-13-16-8-10-33(11-9-16)26(35)18-4-5-18)32-25(38-23)19-6-7-20(37-27(28)29)21(12-19)36-14-17-2-3-17/h6-7,12,15-18,27H,2-5,8-11,13-14,30H2,1H3,(H,31,34)
• InChIKey: NVAORKAIUUPFFB-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 119.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.59
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide (CID 175092999) is 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide is CC(N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NCC1CCN(C(=O)C2CC2)CC1.

What is the InChIKey of 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is NVAORKAIUUPFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N4O5/c1-15(30)23-22(24(34)31-13-16-8-10-33(11-9-16)26(35)18-4-5-18)32-25(38-23)19-6-7-20(37-27(28)29)21(12-19)36-14-17-2-3-17/h6-7,12,15-18,27H,2-5,8-11,13-14,30H2,1H3,(H,31,34).

What are the key properties of 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?

5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 532.59 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-aminoethyl)-N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 175092999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).