2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine

C14H16N4O — CID 82692189

IUPAC2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine
SMILESCCc1cc(CC)n(-c2nc3cc(N)ccc3o2)n1
InChIInChI=1S/C14H16N4O/c1-3-10-8-11(4-2)18(17-10)14-16-12-7-9(15)5-6-13(12)19-14/h5-8H,3-4,15H2,1-2H3
InChIKeyNIWSEFUTNHXBJR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.72
Rot. Bonds3

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

2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine (PubChem CID 82692189) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine
PubChem CID82692189
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine
SMILESCCc1cc(CC)n(-c2nc3cc(N)ccc3o2)n1
InChIInChI=1S/C14H16N4O/c1-3-10-8-11(4-2)18(17-10)14-16-12-7-9(15)5-6-13(12)19-14/h5-8H,3-4,15H2,1-2H3
InChIKeyNIWSEFUTNHXBJR-UHFFFAOYSA-N
XLogP2.72
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.72
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-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-benzoxazol-5-amine
CID 79891210
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890815
4-(3,5-diethylpyrazol-1-yl)-3-methylaniline
CID 45095734
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-(5,6-dimethylbenzimidazol-1-yl)-1,3-benzoxazol-5-amine
CID 79881622
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890059
2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine
CID 79890978
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79964489
2-[(3-methylpyrazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79973306

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine (CID 82692189) is 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine is CCc1cc(CC)n(-c2nc3cc(N)ccc3o2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine?
The InChIKey is NIWSEFUTNHXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-10-8-11(4-2)18(17-10)14-16-12-7-9(15)5-6-13(12)19-14/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine?
2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine has a molecular weight of 256.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82692189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).