3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine

C17H11ClN2O — CID 28896820

IUPAC3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine
SMILESNc1cc2ccccc2cc1-c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C17H11ClN2O/c18-12-5-6-16-15(9-12)20-17(21-16)13-7-10-3-1-2-4-11(10)8-14(13)19/h1-9H,19H2
InChIKeyGLDAJVTVAYGSKG-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.88
Rot. Bonds1

About 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine

3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine (PubChem CID 28896820) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine.

Molecular Properties

Compound Name3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine
PubChem CID28896820
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine
SMILESNc1cc2ccccc2cc1-c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C17H11ClN2O/c18-12-5-6-16-15(9-12)20-17(21-16)13-7-10-3-1-2-4-11(10)8-14(13)19/h1-9H,19H2
InChIKeyGLDAJVTVAYGSKG-UHFFFAOYSA-N
XLogP4.88
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1,3-benzoxazol-2-yl)benzene-1,2-diamine
CID 168953701
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
5-chloro-2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)aniline
CID 82720968
2-aminocyclopropan-1-one;2-(1,3-benzoxazol-2-yl)-4-chloroaniline
CID 174633533
[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone
CID 122383206
2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 95911059
3-(7-bromo-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 81496235
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693
2-(2,4-dichlorophenyl)-5-pyrrol-1-yl-1,3-benzoxazole
CID 91674929
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylaniline
CID 81433215
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
CID 839464

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine?
The IUPAC name of 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine (CID 28896820) is 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine.
What is the SMILES notation for 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine?
The canonical SMILES for 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine is Nc1cc2ccccc2cc1-c1nc2cc(Cl)ccc2o1.
What is the InChIKey of 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine?
The InChIKey is GLDAJVTVAYGSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-12-5-6-16-15(9-12)20-17(21-16)13-7-10-3-1-2-4-11(10)8-14(13)19/h1-9H,19H2.
What are the key properties of 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine?
3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine has a molecular weight of 294.74 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine is sourced from PubChem (CID 28896820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).