4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one

C10H15NO3 — CID 143195353

IUPAC4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one
SMILESCC1(C)COC(C2(C)COC(=O)C2)=N1
InChIInChI=1S/C10H15NO3/c1-9(2)5-14-8(11-9)10(3)4-7(12)13-6-10/h4-6H2,1-3H3
InChIKeyASNJAFNFWYMSML-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.15
Rot. Bonds1

About 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one

4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one (PubChem CID 143195353) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one
PubChem CID143195353
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one
SMILESCC1(C)COC(C2(C)COC(=O)C2)=N1
InChIInChI=1S/C10H15NO3/c1-9(2)5-14-8(11-9)10(3)4-7(12)13-6-10/h4-6H2,1-3H3
InChIKeyASNJAFNFWYMSML-UHFFFAOYSA-N
XLogP1.15
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one?
The IUPAC name of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one (CID 143195353) is 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one.
What is the SMILES notation for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one?
The canonical SMILES for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one is CC1(C)COC(C2(C)COC(=O)C2)=N1.
What is the InChIKey of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one?
The InChIKey is ASNJAFNFWYMSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-9(2)5-14-8(11-9)10(3)4-7(12)13-6-10/h4-6H2,1-3H3.
What are the key properties of 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one?
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one is sourced from PubChem (CID 143195353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).