4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one

C9H13NO2 — CID 45082628

IUPAC4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one
SMILESCC1=NC(C2CCCC2)C(=O)O1
InChIInChI=1S/C9H13NO2/c1-6-10-8(9(11)12-6)7-4-2-3-5-7/h7-8H,2-5H2,1H3
InChIKeyYFDOJXURKYNQEH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.52
Rot. Bonds1

About 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one

4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one (PubChem CID 45082628) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one
PubChem CID45082628
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one
SMILESCC1=NC(C2CCCC2)C(=O)O1
InChIInChI=1S/C9H13NO2/c1-6-10-8(9(11)12-6)7-4-2-3-5-7/h7-8H,2-5H2,1H3
InChIKeyYFDOJXURKYNQEH-UHFFFAOYSA-N
XLogP1.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one (CID 45082628) is 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one is CC1=NC(C2CCCC2)C(=O)O1.
What is the InChIKey of 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one?
The InChIKey is YFDOJXURKYNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-10-8(9(11)12-6)7-4-2-3-5-7/h7-8H,2-5H2,1H3.
What are the key properties of 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one?
4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one has a molecular weight of 167.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 45082628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).