N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide

C9H12N2O2 — CID 130634883

IUPACN-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide
SMILESCC1CC(NC(=O)c2cnco2)C1
InChIInChI=1S/C9H12N2O2/c1-6-2-7(3-6)11-9(12)8-4-10-5-13-8/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyNPIJSXKZCZREGS-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.20
Rot. Bonds2

About N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide

N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide (PubChem CID 130634883) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide
PubChem CID130634883
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide
SMILESCC1CC(NC(=O)c2cnco2)C1
InChIInChI=1S/C9H12N2O2/c1-6-2-7(3-6)11-9(12)8-4-10-5-13-8/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyNPIJSXKZCZREGS-UHFFFAOYSA-N
XLogP1.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide (CID 130634883) is N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide is CC1CC(NC(=O)c2cnco2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide?
The InChIKey is NPIJSXKZCZREGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-2-7(3-6)11-9(12)8-4-10-5-13-8/h4-7H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide?
N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 130634883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).