4-propyl-5H-1,3-oxazol-2-one

C6H9NO2 — CID 140975257

IUPAC4-propyl-5H-1,3-oxazol-2-one
SMILESCCCC1=NC(=O)OC1
InChIInChI=1S/C6H9NO2/c1-2-3-5-4-9-6(8)7-5/h2-4H2,1H3
InChIKeyVNQVZVPCFQYJOX-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.38
Rot. Bonds2

About 4-propyl-5H-1,3-oxazol-2-one

4-propyl-5H-1,3-oxazol-2-one (PubChem CID 140975257) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-propyl-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-propyl-5H-1,3-oxazol-2-one
PubChem CID140975257
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-propyl-5H-1,3-oxazol-2-one
SMILESCCCC1=NC(=O)OC1
InChIInChI=1S/C6H9NO2/c1-2-3-5-4-9-6(8)7-5/h2-4H2,1H3
InChIKeyVNQVZVPCFQYJOX-UHFFFAOYSA-N
XLogP1.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-5H-1,3-oxazol-2-one?
The IUPAC name of 4-propyl-5H-1,3-oxazol-2-one (CID 140975257) is 4-propyl-5H-1,3-oxazol-2-one.
What is the SMILES notation for 4-propyl-5H-1,3-oxazol-2-one?
The canonical SMILES for 4-propyl-5H-1,3-oxazol-2-one is CCCC1=NC(=O)OC1.
What is the InChIKey of 4-propyl-5H-1,3-oxazol-2-one?
The InChIKey is VNQVZVPCFQYJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-5-4-9-6(8)7-5/h2-4H2,1H3.
What are the key properties of 4-propyl-5H-1,3-oxazol-2-one?
4-propyl-5H-1,3-oxazol-2-one has a molecular weight of 127.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5H-1,3-oxazol-2-one is sourced from PubChem (CID 140975257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).