N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide

C30H34F2N4O3 — CID 155060577

About N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide (PubChem CID 155060577) has the molecular formula C30H34F2N4O3 and a molecular weight of 536.62 g/mol. Its IUPAC name is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide
• PubChem CID: 155060577
• Molecular Formula: C30H34F2N4O3
• Molecular Weight: 536.62 g/mol
• Exact Mass: 536.26
• IUPAC Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide
• SMILES: Cc1cnc(C23CCC(CN(C(=O)C4CCC(F)(F)C4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)o1
• InChI: InChI=1S/C30H34F2N4O3/c1-19-17-33-27(38-19)29-12-9-28(10-13-29,11-14-29)18-36(26(37)22-7-8-30(31,32)16-22)23-4-2-3-21(15-23)25-34-24(35-39-25)20-5-6-20/h2-4,15,17,20,22H,5-14,16,18H2,1H3
• InChIKey: BYQSGWXYXDOAHC-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 85.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.62
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide?

The IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide (CID 155060577) is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide?

The canonical SMILES for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide is Cc1cnc(C23CCC(CN(C(=O)C4CCC(F)(F)C4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)o1.

What is the InChIKey of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide?

The InChIKey is BYQSGWXYXDOAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N4O3/c1-19-17-33-27(38-19)29-12-9-28(10-13-29,11-14-29)18-36(26(37)22-7-8-30(31,32)16-22)23-4-2-3-21(15-23)25-34-24(35-39-25)20-5-6-20/h2-4,15,17,20,22H,5-14,16,18H2,1H3.

What are the key properties of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide?

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 536.62 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 155060577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).