N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide

C10H16N2O3 — CID 62520148

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccon1
InChIInChI=1S/C10H16N2O3/c1-3-10(4-2,7-13)11-9(14)8-5-6-15-12-8/h5-6,13H,3-4,7H2,1-2H3,(H,11,14)
InChIKeyPQHPRGFQKWALBQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.96
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 62520148) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID62520148
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1ccon1
InChIInChI=1S/C10H16N2O3/c1-3-10(4-2,7-13)11-9(14)8-5-6-15-12-8/h5-6,13H,3-4,7H2,1-2H3,(H,11,14)
InChIKeyPQHPRGFQKWALBQ-UHFFFAOYSA-N
XLogP0.96
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide (CID 62520148) is N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide is CCC(CC)(CO)NC(=O)c1ccon1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PQHPRGFQKWALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-10(4-2,7-13)11-9(14)8-5-6-15-12-8/h5-6,13H,3-4,7H2,1-2H3,(H,11,14).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 62520148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).