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

C15H16N4O — CID 63079960

IUPAC4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
SMILESCC(C)c1ccc(-c2c(-c3ccn[nH]3)noc2N)cc1
InChIInChI=1S/C15H16N4O/c1-9(2)10-3-5-11(6-4-10)13-14(19-20-15(13)16)12-7-8-17-18-12/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyFHIRRCVRCSPDTF-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.44
Rot. Bonds3

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

4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine (PubChem CID 63079960) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
PubChem CID63079960
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
SMILESCC(C)c1ccc(-c2c(-c3ccn[nH]3)noc2N)cc1
InChIInChI=1S/C15H16N4O/c1-9(2)10-3-5-11(6-4-10)13-14(19-20-15(13)16)12-7-8-17-18-12/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyFHIRRCVRCSPDTF-UHFFFAOYSA-N
XLogP3.44
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-5-(1H-pyrazol-3-yl)isoxazole
CID 24764436
5-methyl-3-phenyl-4-(1H-pyrazol-5-yl)isoxazole
CID 2745568
3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)isoxazole
CID 2745567
(1R,2R and 1S,2S)-N-(3-Methyl-1,2-oxazol-5-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexanecarboxamide
CID 122678170
3-(1-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-5-(propan-2-YL)-1,2-oxazole
CID 50809603
(1R,2S)-2-[(3-Methyl-1,2-oxazol-5-YL)methyl]-N-[(3-phenyl-1H-pyrazol-4-YL)methyl]cyclopentan-1-amine
CID 92414295
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97156212
5-[3-(1-Benzoylpyrrolidin-2-YL)-1H-pyrazol-4-YL]-3,4-dimethyl-1,2-oxazole
CID 136766072
1-Benzoyl-2-[4-(3-methyl-1,2-oxazol-5-YL)-1H-pyrazol-3-YL]piperidine
CID 136766118
2-[4-(3-Methyl-1,2-oxazol-5-YL)-1H-pyrazol-3-YL]-1-[(3-methylphenyl)methyl]piperidine
CID 136766126
1-[(4-Ethylphenyl)methyl]-2-[4-(3-methyl-1,2-oxazol-5-YL)-1H-pyrazol-3-YL]piperidine
CID 136766129
3-(3-fluorophenyl)-5-methyl-4-(1H-pyrazol-3-yl)isoxazole
CID 170854731

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine (CID 63079960) is 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine is CC(C)c1ccc(-c2c(-c3ccn[nH]3)noc2N)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is FHIRRCVRCSPDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9(2)10-3-5-11(6-4-10)13-14(19-20-15(13)16)12-7-8-17-18-12/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine?
4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 63079960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).