N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide

C11H16N2O2 — CID 176873038

IUPACN-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(C2CC2)on1
InChIInChI=1S/C11H16N2O2/c1-7(2)5-11(14)12-10-6-9(15-13-10)8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyRFXFLFSJNDQKMQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.54
Rot. Bonds4

About N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide

N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide (PubChem CID 176873038) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide
PubChem CID176873038
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(C2CC2)on1
InChIInChI=1S/C11H16N2O2/c1-7(2)5-11(14)12-10-6-9(15-13-10)8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyRFXFLFSJNDQKMQ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide?
The IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide (CID 176873038) is N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1cc(C2CC2)on1.
What is the InChIKey of N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide?
The InChIKey is RFXFLFSJNDQKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)5-11(14)12-10-6-9(15-13-10)8-3-4-8/h6-8H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide?
N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide has a molecular weight of 208.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-methylbutanamide is sourced from PubChem (CID 176873038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).