N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide

C11H16N2O2 — CID 6621450

IUPACN-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C11H16N2O2/c1-3-7(2)12-11(14)9-6-10(15-13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,14)
InChIKeyJGDUMIBAOOVVLK-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.08
Rot. Bonds4

About N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 6621450) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID6621450
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C11H16N2O2/c1-3-7(2)12-11(14)9-6-10(15-13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,14)
InChIKeyJGDUMIBAOOVVLK-UHFFFAOYSA-N
XLogP2.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 6621450) is N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide is CCC(C)NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is JGDUMIBAOOVVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-7(2)12-11(14)9-6-10(15-13-9)8-4-5-8/h6-8H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6621450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).