4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine

C13H12N4O — CID 63078369

IUPAC4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3ccn[nH]3)noc2N)cc1
InChIInChI=1S/C13H12N4O/c1-8-2-4-9(5-3-8)11-12(17-18-13(11)14)10-6-7-15-16-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeyTUTLYHRUCBRQKB-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.62
Rot. Bonds2

About 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine

4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine (PubChem CID 63078369) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
PubChem CID63078369
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3ccn[nH]3)noc2N)cc1
InChIInChI=1S/C13H12N4O/c1-8-2-4-9(5-3-8)11-12(17-18-13(11)14)10-6-7-15-16-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeyTUTLYHRUCBRQKB-UHFFFAOYSA-N
XLogP2.62
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-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

4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63079960
4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63080317
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 63079066
4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 62830144
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169
3-(2,4-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107955338
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107982879
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
3-(3-methoxythiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 81121771

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine (CID 63078369) is 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine is Cc1ccc(-c2c(-c3ccn[nH]3)noc2N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is TUTLYHRUCBRQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-2-4-9(5-3-8)11-12(17-18-13(11)14)10-6-7-15-16-10/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 240.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 63078369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).