5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide

C27H43N5O4S — CID 146426797

About 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide (PubChem CID 146426797) has the molecular formula C27H43N5O4S and a molecular weight of 533.74 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 146426797
• Molecular Formula: C27H43N5O4S
• Molecular Weight: 533.74 g/mol
• Exact Mass: 533.30
• IUPAC Name: 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(NC1C[C@H]2CC[C@@H](C1)C2CS(=O)(=O)N1CCC(NCCN2CCCC2)CC1)c1cc(C2CC2)on1
• InChI: InChI=1S/C27H43N5O4S/c33-27(25-17-26(36-30-25)19-3-4-19)29-23-15-20-5-6-21(16-23)24(20)18-37(34,35)32-12-7-22(8-13-32)28-9-14-31-10-1-2-11-31/h17,19-24,28H,1-16,18H2,(H,29,33)/t20-,21+,23?,24?
• InChIKey: NGRWYENLJXQNIT-MNZGCLKASA-N
• XLogP: 2.57
• TPSA: 107.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.74
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide (CID 146426797) is 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide is O=C(NC1C[C@H]2CC[C@@H](C1)C2CS(=O)(=O)N1CCC(NCCN2CCCC2)CC1)c1cc(C2CC2)on1.

What is the InChIKey of 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide?

The InChIKey is NGRWYENLJXQNIT-MNZGCLKASA-N. The full InChI is InChI=1S/C27H43N5O4S/c33-27(25-17-26(36-30-25)19-3-4-19)29-23-15-20-5-6-21(16-23)24(20)18-37(34,35)32-12-7-22(8-13-32)28-9-14-31-10-1-2-11-31/h17,19-24,28H,1-16,18H2,(H,29,33)/t20-,21+,23?,24?.

What are the key properties of 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide?

5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide has a molecular weight of 533.74 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146426797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).