3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide

C21H15ClN2O3 — CID 4672892

IUPAC3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)nc2c1
InChIInChI=1S/C21H15ClN2O3/c1-26-17-9-10-19-18(12-17)24-21(27-19)13-5-7-16(8-6-13)23-20(25)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,25)
InChIKeyRVLFUOXKIMROII-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.41
Rot. Bonds4

About 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide

3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 4672892) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID4672892
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)nc2c1
InChIInChI=1S/C21H15ClN2O3/c1-26-17-9-10-19-18(12-17)24-21(27-19)13-5-7-16(8-6-13)23-20(25)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,25)
InChIKeyRVLFUOXKIMROII-UHFFFAOYSA-N
XLogP5.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5234955
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
4-chloro-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 3899109
N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxybenzamide
CID 1339169
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 5017704
3-chloro-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 2278747
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 4665629
2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110623

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 4672892) is 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)nc2c1.
What is the InChIKey of 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is RVLFUOXKIMROII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c1-26-17-9-10-19-18(12-17)24-21(27-19)13-5-7-16(8-6-13)23-20(25)14-3-2-4-15(22)11-14/h2-12H,1H3,(H,23,25).
What are the key properties of 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 378.82 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 4672892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).