N-naphthalen-1-yl-1,2-benzoxazol-3-amine

C17H12N2O — CID 45484885

IUPACN-naphthalen-1-yl-1,2-benzoxazol-3-amine
SMILESc1ccc2c(Nc3noc4ccccc34)cccc2c1
InChIInChI=1S/C17H12N2O/c1-2-8-13-12(6-1)7-5-10-15(13)18-17-14-9-3-4-11-16(14)20-19-17/h1-11H,(H,18,19)
InChIKeySOIDHQDYGYBXPJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.72
Rot. Bonds2

About N-naphthalen-1-yl-1,2-benzoxazol-3-amine

N-naphthalen-1-yl-1,2-benzoxazol-3-amine (PubChem CID 45484885) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-naphthalen-1-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-1,2-benzoxazol-3-amine
PubChem CID45484885
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC NameN-naphthalen-1-yl-1,2-benzoxazol-3-amine
SMILESc1ccc2c(Nc3noc4ccccc34)cccc2c1
InChIInChI=1S/C17H12N2O/c1-2-8-13-12(6-1)7-5-10-15(13)18-17-14-9-3-4-11-16(14)20-19-17/h1-11H,(H,18,19)
InChIKeySOIDHQDYGYBXPJ-UHFFFAOYSA-N
XLogP4.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 9928737
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-methylphenyl)urea
CID 11152545
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 11235290
n-[4-(3-Amino-1,2-benzisoxazol-4-yl)phenyl]urea
CID 11265647
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-fluorophenyl)urea
CID 11268446
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3,5-difluorophenyl)urea
CID 11280431
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 11304968
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(4-fluorophenyl)urea
CID 11325920
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 11327388
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(2-fluorophenyl)urea
CID 11337407
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(2-fluoro-5-methylphenyl)urea
CID 11406239
3-[4-(3-Amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-fluoro-4-methylphenyl)urea
CID 11417521

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1,2-benzoxazol-3-amine?
The IUPAC name of N-naphthalen-1-yl-1,2-benzoxazol-3-amine (CID 45484885) is N-naphthalen-1-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for N-naphthalen-1-yl-1,2-benzoxazol-3-amine is c1ccc2c(Nc3noc4ccccc34)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-1,2-benzoxazol-3-amine?
The InChIKey is SOIDHQDYGYBXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-2-8-13-12(6-1)7-5-10-15(13)18-17-14-9-3-4-11-16(14)20-19-17/h1-11H,(H,18,19).
What are the key properties of N-naphthalen-1-yl-1,2-benzoxazol-3-amine?
N-naphthalen-1-yl-1,2-benzoxazol-3-amine has a molecular weight of 260.30 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).