2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole

C14H17ClN2O — CID 39364415

IUPAC2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(CCCl)o2)cc1
InChIInChI=1S/C14H17ClN2O/c1-14(2,3)11-6-4-10(5-7-11)13-17-16-12(18-13)8-9-15/h4-7H,8-9H2,1-3H3
InChIKeyLODWDLIBMXCSLR-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.82
Rot. Bonds3

About 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole (PubChem CID 39364415) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
PubChem CID39364415
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(CCCl)o2)cc1
InChIInChI=1S/C14H17ClN2O/c1-14(2,3)11-6-4-10(5-7-11)13-17-16-12(18-13)8-9-15/h4-7H,8-9H2,1-3H3
InChIKeyLODWDLIBMXCSLR-UHFFFAOYSA-N
XLogP3.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255
2-[(4-tert-butylphenoxy)methyl]-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39404103
2-(2-chloroethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 43513245
2-(4-tert-butylphenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 2743776
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 33182726
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 61329835

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole (CID 39364415) is 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(CCCl)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
The InChIKey is LODWDLIBMXCSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14(2,3)11-6-4-10(5-7-11)13-17-16-12(18-13)8-9-15/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole?
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole has a molecular weight of 264.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 39364415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).