3-(2-butoxy-5-chlorophenyl)-1,2-oxazole

C13H14ClNO2 — CID 70811939

IUPAC3-(2-butoxy-5-chlorophenyl)-1,2-oxazole
SMILESCCCCOc1ccc(Cl)cc1-c1ccon1
InChIInChI=1S/C13H14ClNO2/c1-2-3-7-16-13-5-4-10(14)9-11(13)12-6-8-17-15-12/h4-6,8-9H,2-3,7H2,1H3
InChIKeyLKQPLGJYUARUMH-UHFFFAOYSA-N
MW251.71 g/mol
LogP4.17
Rot. Bonds5

About 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole

3-(2-butoxy-5-chlorophenyl)-1,2-oxazole (PubChem CID 70811939) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-butoxy-5-chlorophenyl)-1,2-oxazole
PubChem CID70811939
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name3-(2-butoxy-5-chlorophenyl)-1,2-oxazole
SMILESCCCCOc1ccc(Cl)cc1-c1ccon1
InChIInChI=1S/C13H14ClNO2/c1-2-3-7-16-13-5-4-10(14)9-11(13)12-6-8-17-15-12/h4-6,8-9H,2-3,7H2,1H3
InChIKeyLKQPLGJYUARUMH-UHFFFAOYSA-N
XLogP4.17
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole?
The IUPAC name of 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole (CID 70811939) is 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole is CCCCOc1ccc(Cl)cc1-c1ccon1.
What is the InChIKey of 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole?
The InChIKey is LKQPLGJYUARUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-3-7-16-13-5-4-10(14)9-11(13)12-6-8-17-15-12/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole?
3-(2-butoxy-5-chlorophenyl)-1,2-oxazole has a molecular weight of 251.71 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxy-5-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 70811939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).