2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole

C20H20Cl2N2O — CID 7171213

IUPAC2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESCC(C)Cc1ccc([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C20H20Cl2N2O/c1-12(2)10-14-4-6-15(7-5-14)13(3)19-23-24-20(25-19)17-9-8-16(21)11-18(17)22/h4-9,11-13H,10H2,1-3H3/t13-/m0/s1
InChIKeySMPAHYZGHOIXHA-ZDUSSCGKSA-N
MW375.30 g/mol
LogP6.39
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole

2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole (PubChem CID 7171213) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole
PubChem CID7171213
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESCC(C)Cc1ccc([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C20H20Cl2N2O/c1-12(2)10-14-4-6-15(7-5-14)13(3)19-23-24-20(25-19)17-9-8-16(21)11-18(17)22/h4-9,11-13H,10H2,1-3H3/t13-/m0/s1
InChIKeySMPAHYZGHOIXHA-ZDUSSCGKSA-N
XLogP6.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430749
2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530681
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
1-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164952
N-[(1S)-1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-fluoro-2-methoxyaniline
CID 99705194
N-cyclohexyl-2-[[(1R)-1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]-N-methylacetamide
CID 97021654
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 45134896
(2S)-2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 9484267
1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035148
2-(1-bromopropyl)-5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 106860714
1-[5-(2-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 107993085

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole (CID 7171213) is 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole is CC(C)Cc1ccc([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is SMPAHYZGHOIXHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c1-12(2)10-14-4-6-15(7-5-14)13(3)19-23-24-20(25-19)17-9-8-16(21)11-18(17)22/h4-9,11-13H,10H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 375.30 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7171213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).