N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide

C24H20ClN3O2 — CID 25239444

IUPACN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H20ClN3O2/c25-19-11-10-17(15-18(19)22-28-21-20(30-22)9-6-14-26-21)27-23(29)24(12-4-5-13-24)16-7-2-1-3-8-16/h1-3,6-11,14-15H,4-5,12-13H2,(H,27,29)
InChIKeyYXNGBQDEPXMHTL-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.99
Rot. Bonds4

About N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide

N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 25239444) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID25239444
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H20ClN3O2/c25-19-11-10-17(15-18(19)22-28-21-20(30-22)9-6-14-26-21)27-23(29)24(12-4-5-13-24)16-7-2-1-3-8-16/h1-3,6-11,14-15H,4-5,12-13H2,(H,27,29)
InChIKeyYXNGBQDEPXMHTL-UHFFFAOYSA-N
XLogP5.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 4008641
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-fluorobenzamide
CID 15998206
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 3161491
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 22587197
1-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 22587200
(E)-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6045400
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764
N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 17219378
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 17148154
N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide
CID 135648933
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 3601159
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide (CID 25239444) is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is YXNGBQDEPXMHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-19-11-10-17(15-18(19)22-28-21-20(30-22)9-6-14-26-21)27-23(29)24(12-4-5-13-24)16-7-2-1-3-8-16/h1-3,6-11,14-15H,4-5,12-13H2,(H,27,29).
What are the key properties of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide?
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 25239444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).