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

C8H9ClN4O — CID 164655342

IUPAC5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1-c1c(Cl)cnn1C
InChIInChI=1S/C8H9ClN4O/c1-4-7(14-12-8(4)10)6-5(9)3-11-13(6)2/h3H,1-2H3,(H2,10,12)
InChIKeyQJBCWAHACISZBS-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.62
Rot. Bonds1

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

5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 164655342) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine
PubChem CID164655342
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1-c1c(Cl)cnn1C
InChIInChI=1S/C8H9ClN4O/c1-4-7(14-12-8(4)10)6-5(9)3-11-13(6)2/h3H,1-2H3,(H2,10,12)
InChIKeyQJBCWAHACISZBS-UHFFFAOYSA-N
XLogP1.62
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-1-methylpyrazol-5-yl)-5-methylpyridin-2-amine
CID 114663348
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
4-methyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine
CID 102923030
5-(2-chloro-4-fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199197
5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine
CID 114663431
5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 103406991
5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
CID 82890379
4-chloro-5-(furan-3-yl)-1-methylpyrazole
CID 175897349
[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 131025975
4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66200401
5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxypyridin-3-amine
CID 69133234
4-chloro-N,1-dimethylpyrazol-5-amine
CID 83872406

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine (CID 164655342) is 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine is Cc1c(N)noc1-c1c(Cl)cnn1C.
What is the InChIKey of 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is QJBCWAHACISZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-4-7(14-12-8(4)10)6-5(9)3-11-13(6)2/h3H,1-2H3,(H2,10,12).
What are the key properties of 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine?
5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 212.64 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-methylpyrazol-5-yl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 164655342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).