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

C10H14N4O — CID 135969050

IUPAC4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1c(-c2cn[nH]c2)noc1N
InChIInChI=1S/C10H14N4O/c1-6(2)3-8-9(14-15-10(8)11)7-4-12-13-5-7/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKeyJOEIOXKLWKXVTR-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.85
Rot. Bonds3

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

4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 135969050) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine
PubChem CID135969050
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1c(-c2cn[nH]c2)noc1N
InChIInChI=1S/C10H14N4O/c1-6(2)3-8-9(14-15-10(8)11)7-4-12-13-5-7/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKeyJOEIOXKLWKXVTR-UHFFFAOYSA-N
XLogP1.85
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine (CID 135969050) is 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine is CC(C)Cc1c(-c2cn[nH]c2)noc1N.
What is the InChIKey of 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is JOEIOXKLWKXVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(2)3-8-9(14-15-10(8)11)7-4-12-13-5-7/h4-6H,3,11H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine?
4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 206.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-(1H-pyrazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 135969050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).