N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide

C14H9ClN2O2 — CID 167437415

IUPACN-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1noc2ccccc12
InChIInChI=1S/C14H9ClN2O2/c15-9-5-7-10(8-6-9)16-14(18)13-11-3-1-2-4-12(11)19-17-13/h1-8H,(H,16,18)
InChIKeyLDDWCYQUXKSZIJ-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.73
Rot. Bonds2

About N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide

N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide (PubChem CID 167437415) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide
PubChem CID167437415
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC NameN-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1noc2ccccc12
InChIInChI=1S/C14H9ClN2O2/c15-9-5-7-10(8-6-9)16-14(18)13-11-3-1-2-4-12(11)19-17-13/h1-8H,(H,16,18)
InChIKeyLDDWCYQUXKSZIJ-UHFFFAOYSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093850
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
5-(4-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 17252724
N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1252051
N-(3-Chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 5075788
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[5-(4-chlorophenyl)isoxazol-3-yl]carboxamide
CID 15988864
3-amino-N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide
CID 25176589
Hif-1|A-IN-4
CID 165412813
N-(4-methoxyphenyl)-1,2-benzoxazole-3-carboxamide
CID 167437413
N-(3-chlorophenyl)-1,2-benzoxazole-3-carboxamide
CID 167437417
N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide
CID 167437420
N-phenyl-1,2-benzoxazole-3-carboxamide
CID 167437421

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide (CID 167437415) is N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1noc2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide?
The InChIKey is LDDWCYQUXKSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-9-5-7-10(8-6-9)16-14(18)13-11-3-1-2-4-12(11)19-17-13/h1-8H,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide?
N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide has a molecular weight of 272.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 167437415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).