5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole

C19H17ClN2O2 — CID 141324082

IUPAC5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(C2(COCc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C19H17ClN2O2/c20-16-8-6-15(7-9-16)19(10-11-19)13-23-12-17-21-18(22-24-17)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyWKOKSDLHDJFWSJ-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.64
Rot. Bonds6

About 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole

5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 141324082) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID141324082
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1ccc(C2(COCc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C19H17ClN2O2/c20-16-8-6-15(7-9-16)19(10-11-19)13-23-12-17-21-18(22-24-17)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyWKOKSDLHDJFWSJ-UHFFFAOYSA-N
XLogP4.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(bromomethyl)phenyl]-5-[[1-(4-chlorophenyl)cyclobutyl]methoxymethyl]-1,2,4-oxadiazole
CID 66685655
[3-[4-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112725
5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 91572495
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-chlorophenyl)propanoate
CID 134031490
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029346
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-phenylsulfanylpropanoate
CID 8569046
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671445
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole (CID 141324082) is 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole is Clc1ccc(C2(COCc3nc(-c4ccccc4)no3)CC2)cc1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is WKOKSDLHDJFWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-16-8-6-15(7-9-16)19(10-11-19)13-23-12-17-21-18(22-24-17)14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole?
5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 340.81 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)cyclopropyl]methoxymethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 141324082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).