1-(4-butyl-1,3-oxazol-5-yl)ethanone

C9H13NO2 — CID 134232369

IUPAC1-(4-butyl-1,3-oxazol-5-yl)ethanone
SMILESCCCCc1ncoc1C(C)=O
InChIInChI=1S/C9H13NO2/c1-3-4-5-8-9(7(2)11)12-6-10-8/h6H,3-5H2,1-2H3
InChIKeyWTCIWGHKKCXANJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.22
Rot. Bonds4

About 1-(4-butyl-1,3-oxazol-5-yl)ethanone

1-(4-butyl-1,3-oxazol-5-yl)ethanone (PubChem CID 134232369) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(4-butyl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-butyl-1,3-oxazol-5-yl)ethanone
PubChem CID134232369
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(4-butyl-1,3-oxazol-5-yl)ethanone
SMILESCCCCc1ncoc1C(C)=O
InChIInChI=1S/C9H13NO2/c1-3-4-5-8-9(7(2)11)12-6-10-8/h6H,3-5H2,1-2H3
InChIKeyWTCIWGHKKCXANJ-UHFFFAOYSA-N
XLogP2.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(4-butyl-1,3-oxazol-5-yl)ethanone (CID 134232369) is 1-(4-butyl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-butyl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(4-butyl-1,3-oxazol-5-yl)ethanone is CCCCc1ncoc1C(C)=O.
What is the InChIKey of 1-(4-butyl-1,3-oxazol-5-yl)ethanone?
The InChIKey is WTCIWGHKKCXANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-4-5-8-9(7(2)11)12-6-10-8/h6H,3-5H2,1-2H3.
What are the key properties of 1-(4-butyl-1,3-oxazol-5-yl)ethanone?
1-(4-butyl-1,3-oxazol-5-yl)ethanone has a molecular weight of 167.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 134232369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).