N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C11H18N2O4 — CID 103890787

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1oc(C)nc1C
InChIInChI=1S/C11H18N2O4/c1-4-11(5-14,6-15)13-10(16)9-7(2)12-8(3)17-9/h14-15H,4-6H2,1-3H3,(H,13,16)
InChIKeyODBMZHVOEJEJDV-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.15
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 103890787) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID103890787
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1oc(C)nc1C
InChIInChI=1S/C11H18N2O4/c1-4-11(5-14,6-15)13-10(16)9-7(2)12-8(3)17-9/h14-15H,4-6H2,1-3H3,(H,13,16)
InChIKeyODBMZHVOEJEJDV-UHFFFAOYSA-N
XLogP0.15
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 103890787) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is CCC(CO)(CO)NC(=O)c1oc(C)nc1C.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is ODBMZHVOEJEJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-11(5-14,6-15)13-10(16)9-7(2)12-8(3)17-9/h14-15H,4-6H2,1-3H3,(H,13,16).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 103890787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).