2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine

C16H12N4O — CID 79883039

IUPAC2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(-n3cc(-c4ccccc4)cn3)oc2c1
InChIInChI=1S/C16H12N4O/c17-13-6-7-14-15(8-13)21-16(19-14)20-10-12(9-18-20)11-4-2-1-3-5-11/h1-10H,17H2
InChIKeySYFXJBJBNQKZLL-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.26
Rot. Bonds2

About 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine

2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine (PubChem CID 79883039) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine
PubChem CID79883039
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(-n3cc(-c4ccccc4)cn3)oc2c1
InChIInChI=1S/C16H12N4O/c17-13-6-7-14-15(8-13)21-16(19-14)20-10-12(9-18-20)11-4-2-1-3-5-11/h1-10H,17H2
InChIKeySYFXJBJBNQKZLL-UHFFFAOYSA-N
XLogP3.26
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(1,3-benzoxazol-2-yl)pyrazol-4-yl]aniline
CID 63338651
1-(1,3-benzoxazol-2-yl)pyrazol-4-amine
CID 61174865
2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine
CID 79890978
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
5-amino-2-(4-phenylpyrazol-1-yl)benzoic acid
CID 62770813
3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline
CID 62772004
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine
CID 79882824
2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
CID 79881637
2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 79534571
2-(3,4,5-trimethylpyrazol-1-yl)-1,3-benzoxazol-6-amine
CID 79892675
2-(benzenesulfonylmethyl)-1,3-benzoxazol-6-amine
CID 79999527

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine (CID 79883039) is 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine is Nc1ccc2nc(-n3cc(-c4ccccc4)cn3)oc2c1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine?
The InChIKey is SYFXJBJBNQKZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-13-6-7-14-15(8-13)21-16(19-14)20-10-12(9-18-20)11-4-2-1-3-5-11/h1-10H,17H2.
What are the key properties of 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine?
2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine has a molecular weight of 276.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79883039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).