propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate

C35H35N5O5 — CID 158105632

About propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate

propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate (PubChem CID 158105632) has the molecular formula C35H35N5O5 and a molecular weight of 605.70 g/mol. Its IUPAC name is propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate
• PubChem CID: 158105632
• Molecular Formula: C35H35N5O5
• Molecular Weight: 605.70 g/mol
• Exact Mass: 605.26
• IUPAC Name: propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate
• SMILES: CC(=O)Cc1ccc(-c2cc3cc(-c4nnc([C@@H]5CCCN5C(=O)[C@H](NC(=O)OC(C)C)c5ccccc5)o4)ccc3[nH]2)cc1
• InChI: InChI=1S/C35H35N5O5/c1-21(2)44-35(43)37-31(25-8-5-4-6-9-25)34(42)40-17-7-10-30(40)33-39-38-32(45-33)26-15-16-28-27(19-26)20-29(36-28)24-13-11-23(12-14-24)18-22(3)41/h4-6,8-9,11-16,19-21,30-31,36H,7,10,17-18H2,1-3H3,(H,37,43)/t30-,31+/m0/s1
• InChIKey: PHPACZRORYWYFG-IOWSJCHKSA-N
• XLogP: 6.56
• TPSA: 130.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.70
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?

The IUPAC name of propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate (CID 158105632) is propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate.

What is the SMILES notation for propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?

The canonical SMILES for propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate is CC(=O)Cc1ccc(-c2cc3cc(-c4nnc([C@@H]5CCCN5C(=O)[C@H](NC(=O)OC(C)C)c5ccccc5)o4)ccc3[nH]2)cc1.

What is the InChIKey of propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?

The InChIKey is PHPACZRORYWYFG-IOWSJCHKSA-N. The full InChI is InChI=1S/C35H35N5O5/c1-21(2)44-35(43)37-31(25-8-5-4-6-9-25)34(42)40-17-7-10-30(40)33-39-38-32(45-33)26-15-16-28-27(19-26)20-29(36-28)24-13-11-23(12-14-24)18-22(3)41/h4-6,8-9,11-16,19-21,30-31,36H,7,10,17-18H2,1-3H3,(H,37,43)/t30-,31+/m0/s1.

What are the key properties of propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?

propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate has a molecular weight of 605.70 g/mol, XLogP of 6.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate is sourced from PubChem (CID 158105632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).