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

C9H12N4O — CID 136984255

IUPAC4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine
SMILESCC(C)c1c(N)noc1-c1cn[nH]c1
InChIInChI=1S/C9H12N4O/c1-5(2)7-8(14-13-9(7)10)6-3-11-12-4-6/h3-5H,1-2H3,(H2,10,13)(H,11,12)
InChIKeyOUVWGORFKYBYLW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.77
Rot. Bonds2

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

4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine (PubChem CID 136984255) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine
PubChem CID136984255
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine
SMILESCC(C)c1c(N)noc1-c1cn[nH]c1
InChIInChI=1S/C9H12N4O/c1-5(2)7-8(14-13-9(7)10)6-3-11-12-4-6/h3-5H,1-2H3,(H2,10,13)(H,11,12)
InChIKeyOUVWGORFKYBYLW-UHFFFAOYSA-N
XLogP1.77
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine (CID 136984255) is 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine is CC(C)c1c(N)noc1-c1cn[nH]c1.
What is the InChIKey of 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine?
The InChIKey is OUVWGORFKYBYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-5(2)7-8(14-13-9(7)10)6-3-11-12-4-6/h3-5H,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine?
4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine has a molecular weight of 192.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(1H-pyrazol-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 136984255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).