2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide

C14H9ClN2O2 — CID 67331843

IUPAC2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H9ClN2O2/c15-10-4-1-8(2-5-10)14-17-11-7-9(13(16)18)3-6-12(11)19-14/h1-7H,(H2,16,18)
InChIKeyBKFBBVDSDCPPBF-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide

2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 67331843) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID67331843
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H9ClN2O2/c15-10-4-1-8(2-5-10)14-17-11-7-9(13(16)18)3-6-12(11)19-14/h1-7H,(H2,16,18)
InChIKeyBKFBBVDSDCPPBF-UHFFFAOYSA-N
XLogP3.25
TPSA69.12 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 50849580
2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53237443
prop-2-ynyl 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxylate
CID 95909349
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid;methane
CID 66706315
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 67332633
4-(5-amino-1,3-benzoxazol-2-yl)benzoic acid
CID 45361799
CID 170846881
CID 170846881
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole-5-carbonyl chloride
CID 50849570
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole-5-carboxylic acid
CID 50849557

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide (CID 67331843) is 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide is NC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is BKFBBVDSDCPPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-4-1-8(2-5-10)14-17-11-7-9(13(16)18)3-6-12(11)19-14/h1-7H,(H2,16,18).
What are the key properties of 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide?
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 272.69 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 67331843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).