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

C10H17NO2 — CID 122546379

IUPAC4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one
SMILESCCC(C)(C)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C10H17NO2/c1-6-9(2,3)7-11-10(4,5)8(12)13-7/h6H2,1-5H3
InChIKeyPVNIUKXFZJCIBM-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.16
Rot. Bonds2

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

4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one (PubChem CID 122546379) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one
PubChem CID122546379
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one
SMILESCCC(C)(C)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C10H17NO2/c1-6-9(2,3)7-11-10(4,5)8(12)13-7/h6H2,1-5H3
InChIKeyPVNIUKXFZJCIBM-UHFFFAOYSA-N
XLogP2.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one (CID 122546379) is 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one is CCC(C)(C)C1=NC(C)(C)C(=O)O1.
What is the InChIKey of 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one?
The InChIKey is PVNIUKXFZJCIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-9(2,3)7-11-10(4,5)8(12)13-7/h6H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one?
4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one has a molecular weight of 183.25 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylbutan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 122546379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).