N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide

C35H41N5O5 — CID 123562081

About N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide

N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide (PubChem CID 123562081) has the molecular formula C35H41N5O5 and a molecular weight of 611.74 g/mol. Its IUPAC name is N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 123562081
• Molecular Formula: C35H41N5O5
• Molecular Weight: 611.74 g/mol
• Exact Mass: 611.31
• IUPAC Name: N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ccc(-c2ncc(-c3ccc(NC(=O)C4CCCN4C(O)C4CCC4)cc3)o2)cc1)C1CCCN1C(=O)C1CCC1
• InChI: InChI=1S/C35H41N5O5/c41-31(28-9-3-19-39(28)34(43)24-5-1-6-24)37-26-15-11-22(12-16-26)30-21-36-33(45-30)23-13-17-27(18-14-23)38-32(42)29-10-4-20-40(29)35(44)25-7-2-8-25/h11-18,21,24-25,28-29,34,43H,1-10,19-20H2,(H,37,41)(H,38,42)
• InChIKey: ZNUVOXGQPXHTSG-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 128.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.74
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide (CID 123562081) is N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2ncc(-c3ccc(NC(=O)C4CCCN4C(O)C4CCC4)cc3)o2)cc1)C1CCCN1C(=O)C1CCC1.

What is the InChIKey of N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide?

The InChIKey is ZNUVOXGQPXHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O5/c41-31(28-9-3-19-39(28)34(43)24-5-1-6-24)37-26-15-11-22(12-16-26)30-21-36-33(45-30)23-13-17-27(18-14-23)38-32(42)29-10-4-20-40(29)35(44)25-7-2-8-25/h11-18,21,24-25,28-29,34,43H,1-10,19-20H2,(H,37,41)(H,38,42).

What are the key properties of N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide?

N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide has a molecular weight of 611.74 g/mol, XLogP of 5.26, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[[1-(cyclobutanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-[cyclobutyl(hydroxy)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123562081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).