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

C18H11FN2O2 — CID 67409416

IUPAC7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1noc2c(F)cccc12
InChIInChI=1S/C18H11FN2O2/c19-15-7-3-6-14-16(21-23-17(14)15)18(22)20-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H,20,22)
InChIKeyFAPSOEPFAZRIMN-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.37
Rot. Bonds2

About 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide

7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide (PubChem CID 67409416) has the molecular formula C18H11FN2O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide
PubChem CID67409416
Molecular FormulaC18H11FN2O2
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1noc2c(F)cccc12
InChIInChI=1S/C18H11FN2O2/c19-15-7-3-6-14-16(21-23-17(14)15)18(22)20-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H,20,22)
InChIKeyFAPSOEPFAZRIMN-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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide (CID 67409416) is 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide is O=C(Nc1ccc2ccccc2c1)c1noc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide?
The InChIKey is FAPSOEPFAZRIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2/c19-15-7-3-6-14-16(21-23-17(14)15)18(22)20-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H,20,22).
What are the key properties of 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide?
7-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 7-fluoro-N-naphthalen-2-yl-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 67409416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).