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

C25H18N2O3 — CID 4665629

IUPACN-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nc2c1
InChIInChI=1S/C25H18N2O3/c1-29-21-11-12-23-22(15-21)27-25(30-23)19-7-4-8-20(14-19)26-24(28)18-10-9-16-5-2-3-6-17(16)13-18/h2-15H,1H3,(H,26,28)
InChIKeyPGAXNRHZVBBGEJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.91
Rot. Bonds4

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

N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 4665629) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
PubChem CID4665629
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC NameN-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCOc1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nc2c1
InChIInChI=1S/C25H18N2O3/c1-29-21-11-12-23-22(15-21)27-25(30-23)19-7-4-8-20(14-19)26-24(28)18-10-9-16-5-2-3-6-17(16)13-18/h2-15H,1H3,(H,26,28)
InChIKeyPGAXNRHZVBBGEJ-UHFFFAOYSA-N
XLogP5.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
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
4-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
CID 3970045
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 1047424
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (CID 4665629) is N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is COc1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nc2c1.
What is the InChIKey of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is PGAXNRHZVBBGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-29-21-11-12-23-22(15-21)27-25(30-23)19-7-4-8-20(14-19)26-24(28)18-10-9-16-5-2-3-6-17(16)13-18/h2-15H,1H3,(H,26,28).
What are the key properties of N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 5.91, 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]naphthalene-2-carboxamide is sourced from PubChem (CID 4665629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).