4-butyl-5-hydroxy-3H-1,3-oxazol-2-one

C7H11NO3 — CID 123172052

IUPAC4-butyl-5-hydroxy-3H-1,3-oxazol-2-one
SMILESCCCCc1[nH]c(=O)oc1O
InChIInChI=1S/C7H11NO3/c1-2-3-4-5-6(9)11-7(10)8-5/h9H,2-4H2,1H3,(H,8,10)
InChIKeyYNLOIIHHUFEIQP-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.02
Rot. Bonds3

About 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one

4-butyl-5-hydroxy-3H-1,3-oxazol-2-one (PubChem CID 123172052) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-butyl-5-hydroxy-3H-1,3-oxazol-2-one
PubChem CID123172052
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-butyl-5-hydroxy-3H-1,3-oxazol-2-one
SMILESCCCCc1[nH]c(=O)oc1O
InChIInChI=1S/C7H11NO3/c1-2-3-4-5-6(9)11-7(10)8-5/h9H,2-4H2,1H3,(H,8,10)
InChIKeyYNLOIIHHUFEIQP-UHFFFAOYSA-N
XLogP1.02
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one?
The IUPAC name of 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one (CID 123172052) is 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one is CCCCc1[nH]c(=O)oc1O.
What is the InChIKey of 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one?
The InChIKey is YNLOIIHHUFEIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-4-5-6(9)11-7(10)8-5/h9H,2-4H2,1H3,(H,8,10).
What are the key properties of 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one?
4-butyl-5-hydroxy-3H-1,3-oxazol-2-one has a molecular weight of 157.17 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-hydroxy-3H-1,3-oxazol-2-one is sourced from PubChem (CID 123172052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).