1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide

C24H21N3O2 — CID 22587200

IUPAC1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H21N3O2/c28-23(24(12-4-5-13-24)18-6-2-1-3-7-18)26-19-8-9-21-20(16-19)27-22(29-21)17-10-14-25-15-11-17/h1-3,6-11,14-16H,4-5,12-13H2,(H,26,28)
InChIKeyKXYZJCBJQKXQQN-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.34
Rot. Bonds4

About 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide

1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 22587200) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
PubChem CID22587200
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccncc3)nc2c1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H21N3O2/c28-23(24(12-4-5-13-24)18-6-2-1-3-7-18)26-19-8-9-21-20(16-19)27-22(29-21)17-10-14-25-15-11-17/h1-3,6-11,14-16H,4-5,12-13H2,(H,26,28)
InChIKeyKXYZJCBJQKXQQN-UHFFFAOYSA-N
XLogP5.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764
(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662588
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclohexanecarboxamide
CID 5063740
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699256
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 25239444
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
2-(1-adamantyl)-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3988502
1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide
CID 55620281

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide (CID 22587200) is 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide is O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is KXYZJCBJQKXQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23(24(12-4-5-13-24)18-6-2-1-3-7-18)26-19-8-9-21-20(16-19)27-22(29-21)17-10-14-25-15-11-17/h1-3,6-11,14-16H,4-5,12-13H2,(H,26,28).
What are the key properties of 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 22587200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).