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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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).