4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide

C25H18N2O3 — CID 1326852

IUPAC4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1
InChIInChI=1S/C25H18N2O3/c1-29-21-11-8-17(9-12-21)24(28)26-20-10-13-23-22(15-20)27-25(30-23)19-7-6-16-4-2-3-5-18(16)14-19/h2-15H,1H3,(H,26,28)
InChIKeySVHXDWXHGICLJJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.91
Rot. Bonds4

About 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide

4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1326852) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1326852
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1
InChIInChI=1S/C25H18N2O3/c1-29-21-11-8-17(9-12-21)24(28)26-20-10-13-23-22(15-20)27-25(30-23)19-7-6-16-4-2-3-5-18(16)14-19/h2-15H,1H3,(H,26,28)
InChIKeySVHXDWXHGICLJJ-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]naphthalene-2-carboxamide
CID 4665629
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
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)-3-nitrobenzamide
CID 1334164
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide (CID 1326852) is 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide is COc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1.
What is the InChIKey of 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is SVHXDWXHGICLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-29-21-11-8-17(9-12-21)24(28)26-20-10-13-23-22(15-20)27-25(30-23)19-7-6-16-4-2-3-5-18(16)14-19/h2-15H,1H3,(H,26,28).
What are the key properties of 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide?
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide 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 4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1326852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).