3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole

C14H16ClNO2 — CID 123150652

IUPAC3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole
SMILESCC(C)CCOc1ccc(Cl)cc1-c1ccon1
InChIInChI=1S/C14H16ClNO2/c1-10(2)5-7-17-14-4-3-11(15)9-12(14)13-6-8-18-16-13/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyHIQSYEWZCPTSGK-UHFFFAOYSA-N
MW265.74 g/mol
LogP4.42
Rot. Bonds5

About 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole

3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole (PubChem CID 123150652) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole
PubChem CID123150652
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole
SMILESCC(C)CCOc1ccc(Cl)cc1-c1ccon1
InChIInChI=1S/C14H16ClNO2/c1-10(2)5-7-17-14-4-3-11(15)9-12(14)13-6-8-18-16-13/h3-4,6,8-10H,5,7H2,1-2H3
InChIKeyHIQSYEWZCPTSGK-UHFFFAOYSA-N
XLogP4.42
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-butoxy-5-chlorophenyl)-1,2-oxazole
CID 70811939
2-(bromomethyl)-4-chloro-1-(3-methylbutoxy)benzene
CID 43141990
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
3-[2-(1,2-oxazol-3-yl)phenoxy]propan-1-amine
CID 154238889
(1R)-1-[5-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 55189871
2-amino-4-[5-chloro-2-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406364
ethyl 6-[2-[5-chloro-2-(3-methylbutoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 58974061
ethyl 2-[5-chloro-2-(3-methylbutoxy)phenyl]-2-oxoacetate
CID 91656412
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
4-chloro-2-(chloromethyl)-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 63534668
(1S)-1-[3-(5-chloro-2-propoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 129450964

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole?
The IUPAC name of 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole (CID 123150652) is 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole?
The canonical SMILES for 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole is CC(C)CCOc1ccc(Cl)cc1-c1ccon1.
What is the InChIKey of 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole?
The InChIKey is HIQSYEWZCPTSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(2)5-7-17-14-4-3-11(15)9-12(14)13-6-8-18-16-13/h3-4,6,8-10H,5,7H2,1-2H3.
What are the key properties of 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole?
3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole has a molecular weight of 265.74 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole is sourced from PubChem (CID 123150652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).