2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one

C8H13NO2 — CID 67880140

IUPAC2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one
SMILESCC(C)CC1=NC(C)OC1=O
InChIInChI=1S/C8H13NO2/c1-5(2)4-7-8(10)11-6(3)9-7/h5-6H,4H2,1-3H3
InChIKeyCACQOGZUDIYXHD-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.38
Rot. Bonds2

About 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one

2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one (PubChem CID 67880140) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one
PubChem CID67880140
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one
SMILESCC(C)CC1=NC(C)OC1=O
InChIInChI=1S/C8H13NO2/c1-5(2)4-7-8(10)11-6(3)9-7/h5-6H,4H2,1-3H3
InChIKeyCACQOGZUDIYXHD-UHFFFAOYSA-N
XLogP1.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one?
The IUPAC name of 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one (CID 67880140) is 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one is CC(C)CC1=NC(C)OC1=O.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one?
The InChIKey is CACQOGZUDIYXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)4-7-8(10)11-6(3)9-7/h5-6H,4H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one?
2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one has a molecular weight of 155.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)-2H-1,3-oxazol-5-one is sourced from PubChem (CID 67880140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).