1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one

C11H15NO3 — CID 115082311

IUPAC1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
SMILESCC(=O)Cc1coc(CC2CCOC2)n1
InChIInChI=1S/C11H15NO3/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7,9H,2-6H2,1H3
InChIKeyBSCBCTHSCPQVHY-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one

1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one (PubChem CID 115082311) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
PubChem CID115082311
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
SMILESCC(=O)Cc1coc(CC2CCOC2)n1
InChIInChI=1S/C11H15NO3/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7,9H,2-6H2,1H3
InChIKeyBSCBCTHSCPQVHY-UHFFFAOYSA-N
XLogP1.39
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082408
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115083401
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082322
1-[2-(2-morpholin-4-ylethyl)-1,3-oxazol-4-yl]propan-2-one
CID 115084704
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
2-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082568
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115082429
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115082575
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one (CID 115082311) is 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one is CC(=O)Cc1coc(CC2CCOC2)n1.
What is the InChIKey of 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one?
The InChIKey is BSCBCTHSCPQVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)4-10-7-15-11(12-10)5-9-2-3-14-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one?
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one is sourced from PubChem (CID 115082311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).