1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine

C17H18N4O2 — CID 153203644

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine
SMILESCc1noc(C)c1Cn1cc(NC2OC2c2ccccc2)cn1
InChIInChI=1S/C17H18N4O2/c1-11-15(12(2)23-20-11)10-21-9-14(8-18-21)19-17-16(22-17)13-6-4-3-5-7-13/h3-9,16-17,19H,10H2,1-2H3
InChIKeyWKJWFDPXHPQIMK-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.05
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine (PubChem CID 153203644) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine
PubChem CID153203644
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine
SMILESCc1noc(C)c1Cn1cc(NC2OC2c2ccccc2)cn1
InChIInChI=1S/C17H18N4O2/c1-11-15(12(2)23-20-11)10-21-9-14(8-18-21)19-17-16(22-17)13-6-4-3-5-7-13/h3-9,16-17,19H,10H2,1-2H3
InChIKeyWKJWFDPXHPQIMK-UHFFFAOYSA-N
XLogP3.05
TPSA68.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyclohexyloxiran-2-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-amine
CID 147589152
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 155567505
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-pyridin-3-yloxiran-2-yl)pyrazol-3-amine
CID 123705639
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 58409595
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
CID 57422281
1-(2,3-dihydro-1H-inden-2-yl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 4626703
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[3-(1H-pyrrol-3-yl)oxiran-2-yl]pyrazol-3-amine
CID 123386935
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 57422291
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
1-(2-chloroethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
CID 57422492
4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 122240819
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 70646299

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine (CID 153203644) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine is Cc1noc(C)c1Cn1cc(NC2OC2c2ccccc2)cn1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine?
The InChIKey is WKJWFDPXHPQIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-15(12(2)23-20-11)10-21-9-14(8-18-21)19-17-16(22-17)13-6-4-3-5-7-13/h3-9,16-17,19H,10H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine has a molecular weight of 310.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine is sourced from PubChem (CID 153203644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).