2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine

C13H14N4O — CID 66120071

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
SMILESCCn1nc(C)cc1-c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H14N4O/c1-3-17-11(6-8(2)16-17)13-15-10-5-4-9(14)7-12(10)18-13/h4-7H,3,14H2,1-2H3
InChIKeyUMIGLQYHEVMETP-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine

2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine (PubChem CID 66120071) 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-6-amine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
PubChem CID66120071
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
SMILESCCn1nc(C)cc1-c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H14N4O/c1-3-17-11(6-8(2)16-17)13-15-10-5-4-9(14)7-12(10)18-13/h4-7H,3,14H2,1-2H3
InChIKeyUMIGLQYHEVMETP-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-(1H-Pyrazol-3-yl)benzoxazole
CID 25104005
2-Methyl-1,3-benzoxazol-6-amine
CID 590539
6-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104130
US20230295140, Example 17
CID 156778574
US20230295140, Example 20
CID 156778626
US20230295140, Example 44
CID 162496683
2-Methyl-1,3-benzoxazol-4-amine
CID 10606897
5-fluoro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
CID 25104128
2-[[2-(1,3,5-Trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-benzoxazole
CID 72043910
2-Ethyl-1,3-benzoxazol-4-amine
CID 12071589
N-[(2S)-3-(1,3-benzoxazol-2-yl)-1-[(1-cyanocyclopropyl)amino]-1-oxopropan-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 170452476
N-[(2S)-3-(1,3-benzoxazol-2-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-1,3-dicyclopropylpyrazole-5-carboxamide
CID 170452478

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine (CID 66120071) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine is CCn1nc(C)cc1-c1nc2ccc(N)cc2o1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine?
The InChIKey is UMIGLQYHEVMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-3-17-11(6-8(2)16-17)13-15-10-5-4-9(14)7-12(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-6-amine?
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-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-6-amine is sourced from PubChem (CID 66120071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).