2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine

C13H14N4O — CID 66119880

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine
SMILESCCn1nc(C)cc1-c1nc2cc(N)ccc2o1
InChIInChI=1S/C13H14N4O/c1-3-17-11(6-8(2)16-17)13-15-10-7-9(14)4-5-12(10)18-13/h4-7H,3,14H2,1-2H3
InChIKeyOVDUFOJURSLNTD-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.60
Rot. Bonds2

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

2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine (PubChem CID 66119880) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine
PubChem CID66119880
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine
SMILESCCn1nc(C)cc1-c1nc2cc(N)ccc2o1
InChIInChI=1S/C13H14N4O/c1-3-17-11(6-8(2)16-17)13-15-10-7-9(14)4-5-12(10)18-13/h4-7H,3,14H2,1-2H3
InChIKeyOVDUFOJURSLNTD-UHFFFAOYSA-N
XLogP2.60
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.60
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-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
CID 66120071
4-(2-ethyl-5-methylpyrazol-3-yl)-3-fluoroaniline
CID 90393898
2-(5-amino-1,3-benzoxazol-2-yl)-5-methylphenol
CID 136802404
2-(5-amino-1,3-benzoxazol-2-yl)-5-(5-methyl-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 157482621
2-[(3-methylpyrazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79973306
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 66120490
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 66120688
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891
2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzoxazol-5-amine
CID 67332589
2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
CID 168857392
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79964659

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine (CID 66119880) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine is CCn1nc(C)cc1-c1nc2cc(N)ccc2o1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine?
The InChIKey is OVDUFOJURSLNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-3-17-11(6-8(2)16-17)13-15-10-7-9(14)4-5-12(10)18-13/h4-7H,3,14H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine?
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine has a molecular weight of 242.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 66119880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).