3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole

C23H25ClN2O2 — CID 59556650

IUPAC3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc(OCC3CCC(C)CC3)c(Cl)c2)no1
InChIInChI=1S/C23H25ClN2O2/c1-15-7-9-17(10-8-15)14-27-21-12-11-18(13-20(21)24)22-25-23(28-26-22)19-6-4-3-5-16(19)2/h3-6,11-13,15,17H,7-10,14H2,1-2H3
InChIKeyRQPMCWORHHGOLV-UHFFFAOYSA-N
MW396.92 g/mol
LogP6.57
Rot. Bonds5

About 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole

3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 59556650) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID59556650
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc(OCC3CCC(C)CC3)c(Cl)c2)no1
InChIInChI=1S/C23H25ClN2O2/c1-15-7-9-17(10-8-15)14-27-21-12-11-18(13-20(21)24)22-25-23(28-26-22)19-6-4-3-5-16(19)2/h3-6,11-13,15,17H,7-10,14H2,1-2H3
InChIKeyRQPMCWORHHGOLV-UHFFFAOYSA-N
XLogP6.57
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-5-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 143701909
3-[3-chloro-4-(3-methylbutoxy)phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 59556589
3-(4-cyclopentyloxy-3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289457
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 42851340
3-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylanilino]methyl]cyclopentane-1-carboxylic acid
CID 123708270
5-[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 154854498
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
5-[(2,4-dichlorophenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926658
3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 59556605
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 59556650) is 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(-c2ccc(OCC3CCC(C)CC3)c(Cl)c2)no1.
What is the InChIKey of 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is RQPMCWORHHGOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-15-7-9-17(10-8-15)14-27-21-12-11-18(13-20(21)24)22-25-23(28-26-22)19-6-4-3-5-16(19)2/h3-6,11-13,15,17H,7-10,14H2,1-2H3.
What are the key properties of 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 396.92 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[(4-methylcyclohexyl)methoxy]phenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59556650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).