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

C21H16N2O3 — CID 953822

IUPACN-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1
InChIInChI=1S/C21H16N2O3/c1-25-17-10-11-19-18(13-17)23-21(26-19)15-8-5-9-16(12-15)22-20(24)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,24)
InChIKeyGNPHUMDEXCRSOY-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.76
Rot. Bonds4

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

N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 953822) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID953822
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCOc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1
InChIInChI=1S/C21H16N2O3/c1-25-17-10-11-19-18(13-17)23-21(26-19)15-8-5-9-16(12-15)22-20(24)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,24)
InChIKeyGNPHUMDEXCRSOY-UHFFFAOYSA-N
XLogP4.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 4665629
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3309852
2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 869599
4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 3970045
3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5234955
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2,5-dimethoxybenzamide
CID 16848752
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 953822) is N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is COc1ccc2oc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1.
What is the InChIKey of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is GNPHUMDEXCRSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-17-10-11-19-18(13-17)23-21(26-19)15-8-5-9-16(12-15)22-20(24)14-6-3-2-4-7-14/h2-13H,1H3,(H,22,24).
What are the key properties of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide?
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 953822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).