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

C13H12N4O — CID 63080317

IUPAC4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2ccn[nH]2)noc1N
InChIInChI=1S/C13H12N4O/c1-8-4-2-3-5-9(8)11-12(17-18-13(11)14)10-6-7-15-16-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeyXZSMKGBBPDXJQI-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.62
Rot. Bonds2

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

4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine (PubChem CID 63080317) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
PubChem CID63080317
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2ccn[nH]2)noc1N
InChIInChI=1S/C13H12N4O/c1-8-4-2-3-5-9(8)11-12(17-18-13(11)14)10-6-7-15-16-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeyXZSMKGBBPDXJQI-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine (CID 63080317) is 4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine is Cc1ccccc1-c1c(-c2ccn[nH]2)noc1N.
What is the InChIKey of 4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is XZSMKGBBPDXJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-4-2-3-5-9(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-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
4-(2-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-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 63080317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).