5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide

C12H18N2O4 — CID 113434991

IUPAC5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O4/c1-2-12(6-15,7-16)13-11(17)9-5-10(18-14-9)8-3-4-8/h5,8,15-16H,2-4,6-7H2,1H3,(H,13,17)
InChIKeyHDHBSZIFQWKWTG-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.42
Rot. Bonds6

About 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 113434991) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID113434991
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O4/c1-2-12(6-15,7-16)13-11(17)9-5-10(18-14-9)8-3-4-8/h5,8,15-16H,2-4,6-7H2,1H3,(H,13,17)
InChIKeyHDHBSZIFQWKWTG-UHFFFAOYSA-N
XLogP0.42
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide (CID 113434991) is 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide is CCC(CO)(CO)NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HDHBSZIFQWKWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-12(6-15,7-16)13-11(17)9-5-10(18-14-9)8-3-4-8/h5,8,15-16H,2-4,6-7H2,1H3,(H,13,17).
What are the key properties of 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 113434991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).