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

C17H15ClN2O2 — CID 53237443

IUPAC2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C17H15ClN2O2/c1-10(2)19-16(21)12-5-8-15-14(9-12)20-17(22-15)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H,19,21)
InChIKeyMWEUMRWQJWJNAQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.29
Rot. Bonds3

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

2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 53237443) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID53237443
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C17H15ClN2O2/c1-10(2)19-16(21)12-5-8-15-14(9-12)20-17(22-15)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H,19,21)
InChIKeyMWEUMRWQJWJNAQ-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
CID 170846881
CID 170846881
prop-2-ynyl 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxylate
CID 95909349
4-chloro-N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4285115
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 67332633
N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide
CID 134799158
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-chloro-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 3899109
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
CID 1205346
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 53237443) is 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is CC(C)NC(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is MWEUMRWQJWJNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10(2)19-16(21)12-5-8-15-14(9-12)20-17(22-15)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide?
2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 53237443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).