N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide

C18H12N2O3 — CID 46862145

IUPACN-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H12N2O3/c21-17(12-8-9-16-15(10-12)20-18(22)23-16)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,21)(H,20,22)
InChIKeyDKXORCOPYLQASM-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.53
Rot. Bonds2

About N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide

N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide (PubChem CID 46862145) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
PubChem CID46862145
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC NameN-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H12N2O3/c21-17(12-8-9-16-15(10-12)20-18(22)23-16)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,21)(H,20,22)
InChIKeyDKXORCOPYLQASM-UHFFFAOYSA-N
XLogP3.53
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 110678693
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
CID 116843327
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide (CID 46862145) is N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide is O=C(Nc1cccc2ccccc12)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The InChIKey is DKXORCOPYLQASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-17(12-8-9-16-15(10-12)20-18(22)23-16)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,21)(H,20,22).
What are the key properties of N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 46862145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).