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

C16H18N4O — CID 103119559

IUPAC3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1ccc(-c2c(-c3ccn(C)n3)noc2N)cc1
InChIInChI=1S/C16H18N4O/c1-10(2)11-4-6-12(7-5-11)14-15(19-21-16(14)17)13-8-9-20(3)18-13/h4-10H,17H2,1-3H3
InChIKeyMHPRMUPLQKAXJC-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.45
Rot. Bonds3

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

3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 103119559) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID103119559
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1ccc(-c2c(-c3ccn(C)n3)noc2N)cc1
InChIInChI=1S/C16H18N4O/c1-10(2)11-4-6-12(7-5-11)14-15(19-21-16(14)17)13-8-9-20(3)18-13/h4-10H,17H2,1-3H3
InChIKeyMHPRMUPLQKAXJC-UHFFFAOYSA-N
XLogP3.45
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 114821364
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567
4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63079960
4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587
4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
CID 43336217
3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 79802924
4-(2-chloro-4-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119586
4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972748
3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 43158460
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 114022695

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 103119559) is 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine is CC(C)c1ccc(-c2c(-c3ccn(C)n3)noc2N)cc1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is MHPRMUPLQKAXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(2)11-4-6-12(7-5-11)14-15(19-21-16(14)17)13-8-9-20(3)18-13/h4-10H,17H2,1-3H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 282.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 103119559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).