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

C9H12N2O2 — CID 170387040

IUPACN-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide
SMILESCCC(=O)Nc1cc(C2CC2)on1
InChIInChI=1S/C9H12N2O2/c1-2-9(12)10-8-5-7(13-11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyFZGRUETTXQMZIJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.90
Rot. Bonds3

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

N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide (PubChem CID 170387040) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide
PubChem CID170387040
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide
SMILESCCC(=O)Nc1cc(C2CC2)on1
InChIInChI=1S/C9H12N2O2/c1-2-9(12)10-8-5-7(13-11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyFZGRUETTXQMZIJ-UHFFFAOYSA-N
XLogP1.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.90
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)propanamide?
The IUPAC name of N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide (CID 170387040) is N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide is CCC(=O)Nc1cc(C2CC2)on1.
What is the InChIKey of N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is FZGRUETTXQMZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-9(12)10-8-5-7(13-11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide?
N-(5-cyclopropyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 180.21 g/mol, XLogP of 1.90, 3 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)propanamide is sourced from PubChem (CID 170387040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).