3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine

C9H12N4O — CID 102801821

IUPAC3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1nn(C)cc1-c1noc(N)c1C
InChIInChI=1S/C9H12N4O/c1-5-8(12-14-9(5)10)7-4-13(3)11-6(7)2/h4H,10H2,1-3H3
InChIKeyJSEVBPCWNWYMHY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.27
Rot. Bonds1

About 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine

3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine (PubChem CID 102801821) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine
PubChem CID102801821
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1nn(C)cc1-c1noc(N)c1C
InChIInChI=1S/C9H12N4O/c1-5-8(12-14-9(5)10)7-4-13(3)11-6(7)2/h4H,10H2,1-3H3
InChIKeyJSEVBPCWNWYMHY-UHFFFAOYSA-N
XLogP1.27
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
5-(bromomethyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole
CID 75356273
4-(3-Fluorophenyl)-3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 81674691
4-(3,5-Difluorophenyl)-3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 81675287
4-(4-Fluorophenyl)-3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 81675454
4-(2-Fluorophenyl)-3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 81675455
4-(2,4-Difluorophenyl)-3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 81675539
3-(1,3-Dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 102801816
3-(1,3-Dimethylpyrazol-4-yl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 102801820
4-(3,5-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 102801826
3-(1,3-Dimethylpyrazol-4-yl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 102801827
4-(2,4-Difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 102801837

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine (CID 102801821) is 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine is Cc1nn(C)cc1-c1noc(N)c1C.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine?
The InChIKey is JSEVBPCWNWYMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5-8(12-14-9(5)10)7-4-13(3)11-6(7)2/h4H,10H2,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine?
3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine has a molecular weight of 192.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 102801821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).