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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Related Compounds

4-hydroxy-5-undecyl-1,3-dihydroimidazol-2-one
CID 54149435
4-butyl-5-methyl-1,3-dihydroimidazol-2-one
CID 13478904
5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one
CID 142177691
4,5-dibutyl-3H-1,3-oxazole-2-thione
CID 54448190
4-chloro-5-hydroxy-3H-1,3-oxazol-2-one
CID 69333997
2-butyl-3-hydroxycycloprop-2-en-1-one
CID 59755512
2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid
CID 23352094
3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one
CID 175267375
2-butyl-4-hydroxy-5-nitro-6-oxo-1H-pyridine-3-carboxylic acid
CID 54703872
4-amino-5-butyl-1,2-dihydropyrazol-3-one
CID 45121269
4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
CID 13478903

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).