5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide

C18H11FN2O2 — CID 67409444

IUPAC5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1noc2ccc(F)cc12
InChIInChI=1S/C18H11FN2O2/c19-13-6-8-16-15(10-13)17(21-23-16)18(22)20-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,20,22)
InChIKeyYZTIBNIRSRUQQJ-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.37
Rot. Bonds2

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

5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide (PubChem CID 67409444) has the molecular formula C18H11FN2O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide
PubChem CID67409444
Molecular FormulaC18H11FN2O2
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1noc2ccc(F)cc12
InChIInChI=1S/C18H11FN2O2/c19-13-6-8-16-15(10-13)17(21-23-16)18(22)20-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,20,22)
InChIKeyYZTIBNIRSRUQQJ-UHFFFAOYSA-N
XLogP4.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide
CID 67409416
4-fluoro-2-hydroxy-N-naphthalen-2-ylbenzamide
CID 107015197
2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
CID 5018859
4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide
CID 815847
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide
CID 11988534
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide (CID 67409444) is 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide is O=C(Nc1ccc2ccccc2c1)c1noc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide?
The InChIKey is YZTIBNIRSRUQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2/c19-13-6-8-16-15(10-13)17(21-23-16)18(22)20-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,20,22).
What are the key properties of 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide?
5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide has a molecular weight of 306.30 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 67409444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).