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

C9H15NO3 — CID 155764751

IUPAC2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(CCO)OC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)5-7-9(12)13-8(10-7)3-4-11/h6-7,11H,3-5H2,1-2H3
InChIKeySILVFWNGOZJMHQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.74
Rot. Bonds4

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

2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one (PubChem CID 155764751) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
PubChem CID155764751
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(CCO)OC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)5-7-9(12)13-8(10-7)3-4-11/h6-7,11H,3-5H2,1-2H3
InChIKeySILVFWNGOZJMHQ-UHFFFAOYSA-N
XLogP0.74
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one (CID 155764751) is 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one is CC(C)CC1N=C(CCO)OC1=O.
What is the InChIKey of 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The InChIKey is SILVFWNGOZJMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)5-7-9(12)13-8(10-7)3-4-11/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one has a molecular weight of 185.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 155764751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).