2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate

C9H15NO3 — CID 21348684

IUPAC2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate
SMILESCC(=O)OCC(C)C1COC(C)=N1
InChIInChI=1S/C9H15NO3/c1-6(4-13-8(3)11)9-5-12-7(2)10-9/h6,9H,4-5H2,1-3H3
InChIKeyQUMCECWGMSUZAA-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.00
Rot. Bonds3

About 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate

2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate (PubChem CID 21348684) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate.

Molecular Properties

Compound Name2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate
PubChem CID21348684
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate
SMILESCC(=O)OCC(C)C1COC(C)=N1
InChIInChI=1S/C9H15NO3/c1-6(4-13-8(3)11)9-5-12-7(2)10-9/h6,9H,4-5H2,1-3H3
InChIKeyQUMCECWGMSUZAA-UHFFFAOYSA-N
XLogP1.00
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxycarbonylpropyl-2-oxazoline
CID 167633420
(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 15206014
Ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate
CID 23453463
[(2R)-2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl] acetate
CID 59037581
[(2R)-2-[(4R)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate
CID 59896152
[(2R)-2-isocyanato-3-methylbutyl] acetate
CID 101678551
[(2S)-2-isocyanato-3-methylbutyl] acetate
CID 101678552
Ethyl 2-(1-ethoxyethylideneamino)-3-methylbutanoate
CID 101764510

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate?
The IUPAC name of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate (CID 21348684) is 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate.
What is the SMILES notation for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate?
The canonical SMILES for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate is CC(=O)OCC(C)C1COC(C)=N1.
What is the InChIKey of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate?
The InChIKey is QUMCECWGMSUZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(4-13-8(3)11)9-5-12-7(2)10-9/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate?
2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate has a molecular weight of 185.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate is sourced from PubChem (CID 21348684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).