1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one

C9H13NO2 — CID 133054612

IUPAC1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one
SMILESCCC(=O)c1coc(C(C)C)n1
InChIInChI=1S/C9H13NO2/c1-4-8(11)7-5-12-9(10-7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyFSZQBTAPKHLNTE-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.39
Rot. Bonds3

About 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one

1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one (PubChem CID 133054612) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one
PubChem CID133054612
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one
SMILESCCC(=O)c1coc(C(C)C)n1
InChIInChI=1S/C9H13NO2/c1-4-8(11)7-5-12-9(10-7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyFSZQBTAPKHLNTE-UHFFFAOYSA-N
XLogP2.39
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 86165247
2-[(2R)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2R)-3-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;2-[(2S)-3-methylpentan-2-yl]-1,3-oxazole-4-carboxylic acid;bis(2-propan-2-yl-1,3-oxazole-4-carboxylic acid)
CID 162015663
2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide
CID 77463883
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 161037098
4-[(E)-1-methylsulfanylprop-1-en-2-yl]-2-propan-2-yl-1,3-oxazole
CID 139505613
2-[(2S)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 162015662
N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 73051895
ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole
CID 144795148
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
methyl 2-(1-chloroethyl)-1,3-oxazole-4-carboxylate
CID 131529915
1-(1,3-oxazol-4-yl)propan-1-one
CID 67478262

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one (CID 133054612) is 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one is CCC(=O)c1coc(C(C)C)n1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one?
The InChIKey is FSZQBTAPKHLNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-8(11)7-5-12-9(10-7)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one?
1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one has a molecular weight of 167.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 133054612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).