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

C25H18N2O3 — CID 15991077

IUPAC3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1
InChIInChI=1S/C25H18N2O3/c1-29-21-8-4-7-18(14-21)24(28)26-20-11-12-23-22(15-20)27-25(30-23)19-10-9-16-5-2-3-6-17(16)13-19/h2-15H,1H3,(H,26,28)
InChIKeyZNJPXMPDCCKPAW-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.91
Rot. Bonds4

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

3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 15991077) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID15991077
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC Name3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1
InChIInChI=1S/C25H18N2O3/c1-29-21-8-4-7-18(14-21)24(28)26-20-11-12-23-22(15-20)27-25(30-23)19-10-9-16-5-2-3-6-17(16)13-19/h2-15H,1H3,(H,26,28)
InChIKeyZNJPXMPDCCKPAW-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide (CID 15991077) is 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide is COc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1.
What is the InChIKey of 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is ZNJPXMPDCCKPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-29-21-8-4-7-18(14-21)24(28)26-20-11-12-23-22(15-20)27-25(30-23)19-10-9-16-5-2-3-6-17(16)13-19/h2-15H,1H3,(H,26,28).
What are the key properties of 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide?
3-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 3-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 15991077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).