2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole

C20H19ClN2O2 — CID 56804099

IUPAC2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C3(c4ccc(Cl)cc4)CCOCC3)o2)c1
InChIInChI=1S/C20H19ClN2O2/c1-14-3-2-4-15(13-14)18-22-23-19(25-18)20(9-11-24-12-10-20)16-5-7-17(21)8-6-16/h2-8,13H,9-12H2,1H3
InChIKeyVYLPFHLULZJRBM-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.79
Rot. Bonds3

About 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole

2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 56804099) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID56804099
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C3(c4ccc(Cl)cc4)CCOCC3)o2)c1
InChIInChI=1S/C20H19ClN2O2/c1-14-3-2-4-15(13-14)18-22-23-19(25-18)20(9-11-24-12-10-20)16-5-7-17(21)8-6-16/h2-8,13H,9-12H2,1H3
InChIKeyVYLPFHLULZJRBM-UHFFFAOYSA-N
XLogP4.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-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-[4-(4-chlorophenyl)oxan-4-yl]-5-quinolin-2-yl-1,3,4-oxadiazole
CID 56804005
2-[4-(3-chlorophenyl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 56804028
2-[4-(3-fluorophenyl)oxan-4-yl]-5-(3-methylsulfonylphenyl)-1,3,4-oxadiazole
CID 56804118
2-(2-fluorophenyl)-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56784934
2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 56804055
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
2-[4-(4-chlorophenyl)oxan-4-yl]-5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazole
CID 56804076
2-[5-(4-chlorophenyl)-3-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-(2,4-dichlorophenyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
CID 45485171
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
5-chloro-2-methoxy-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651889
2-[4-(1,3-benzodioxol-5-yl)oxan-4-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 56804029

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 56804099) is 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(C3(c4ccc(Cl)cc4)CCOCC3)o2)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is VYLPFHLULZJRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-14-3-2-4-15(13-14)18-22-23-19(25-18)20(9-11-24-12-10-20)16-5-7-17(21)8-6-16/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 354.84 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)oxan-4-yl]-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 56804099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).