4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one

C11H12N2O2 — CID 19596717

IUPAC4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one
SMILESCC(C)c1c(-c2cccnc2)o[nH]c1=O
InChIInChI=1S/C11H12N2O2/c1-7(2)9-10(15-13-11(9)14)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,13,14)
InChIKeyKNBGDDITWOAJGL-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.15
Rot. Bonds2

About 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one

4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one (PubChem CID 19596717) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one
PubChem CID19596717
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one
SMILESCC(C)c1c(-c2cccnc2)o[nH]c1=O
InChIInChI=1S/C11H12N2O2/c1-7(2)9-10(15-13-11(9)14)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,13,14)
InChIKeyKNBGDDITWOAJGL-UHFFFAOYSA-N
XLogP2.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 63611953
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-pyridin-3-yl-1,2-oxazol-3-one
CID 10702133
5-propan-2-yl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513819
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583
ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
CID 134976381
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
2-propan-2-yl-6-pyridin-3-ylpyridine
CID 118124535
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyridin-3-yl-1H-indole
CID 151187611
4-propyl-5-pyridin-3-yl-3H-1,3-oxazol-2-one
CID 10219881
3-pyridin-3-yl-1H-pyridazin-6-one;hydrochloride
CID 126796349

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one?
The IUPAC name of 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one (CID 19596717) is 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one is CC(C)c1c(-c2cccnc2)o[nH]c1=O.
What is the InChIKey of 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one?
The InChIKey is KNBGDDITWOAJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)9-10(15-13-11(9)14)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one?
4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one is sourced from PubChem (CID 19596717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).