N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C23H23N3O3 — CID 55493015

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C23H23N3O3/c27-21-13-16(14-26(21)18-5-1-2-6-18)22(28)24-17-11-9-15(10-12-17)23-25-19-7-3-4-8-20(19)29-23/h3-4,7-12,16,18H,1-2,5-6,13-14H2,(H,24,28)
InChIKeyMXVOMJBFMZTOAC-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.22
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 55493015) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID55493015
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C23H23N3O3/c27-21-13-16(14-26(21)18-5-1-2-6-18)22(28)24-17-11-9-15(10-12-17)23-25-19-7-3-4-8-20(19)29-23/h3-4,7-12,16,18H,1-2,5-6,13-14H2,(H,24,28)
InChIKeyMXVOMJBFMZTOAC-UHFFFAOYSA-N
XLogP4.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 131944662
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
(3R)-N-(1H-benzimidazol-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40633944
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propanoylpiperidine-2-carboxamide
CID 129380761
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 55493015) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MXVOMJBFMZTOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21-13-16(14-26(21)18-5-1-2-6-18)22(28)24-17-11-9-15(10-12-17)23-25-19-7-3-4-8-20(19)29-23/h3-4,7-12,16,18H,1-2,5-6,13-14H2,(H,24,28).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55493015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).