2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole

C14H17ClN2O2 — CID 62919288

IUPAC2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
SMILESCC(C)Oc1cccc(-c2nnc(CCCCl)o2)c1
InChIInChI=1S/C14H17ClN2O2/c1-10(2)18-12-6-3-5-11(9-12)14-17-16-13(19-14)7-4-8-15/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyQLRSYWVSTSXURI-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.70
Rot. Bonds6

About 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole

2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole (PubChem CID 62919288) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
PubChem CID62919288
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
SMILESCC(C)Oc1cccc(-c2nnc(CCCCl)o2)c1
InChIInChI=1S/C14H17ClN2O2/c1-10(2)18-12-6-3-5-11(9-12)14-17-16-13(19-14)7-4-8-15/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKeyQLRSYWVSTSXURI-UHFFFAOYSA-N
XLogP3.70
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
CID 65179365
2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164986
2-(3-chloropropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 43513385
N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62165008
2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 106752784
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148
5-[5-(3-chloropropyl)-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 43513406
2-(3-chloropropyl)-5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 63209997
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320
2-(3-chloropropyl)-5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazole
CID 55230879

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole (CID 62919288) is 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole is CC(C)Oc1cccc(-c2nnc(CCCCl)o2)c1.
What is the InChIKey of 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole?
The InChIKey is QLRSYWVSTSXURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10(2)18-12-6-3-5-11(9-12)14-17-16-13(19-14)7-4-8-15/h3,5-6,9-10H,4,7-8H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole has a molecular weight of 280.75 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 62919288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).