N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine

C20H19ClFN3O2 — CID 34718526

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2noc(CN(Cc3c(F)cccc3Cl)C3CC3)n2)c1
InChIInChI=1S/C20H19ClFN3O2/c1-26-15-5-2-4-13(10-15)20-23-19(27-24-20)12-25(14-8-9-14)11-16-17(21)6-3-7-18(16)22/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyFDARVCPZXADLCZ-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.70
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine

N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (PubChem CID 34718526) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
PubChem CID34718526
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2noc(CN(Cc3c(F)cccc3Cl)C3CC3)n2)c1
InChIInChI=1S/C20H19ClFN3O2/c1-26-15-5-2-4-13(10-15)20-23-19(27-24-20)12-25(14-8-9-14)11-16-17(21)6-3-7-18(16)22/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyFDARVCPZXADLCZ-UHFFFAOYSA-N
XLogP4.70
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichlorophenyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 100604591
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50874751
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 33195854
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanesulfonamide
CID 53278196
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 100654197
3-chloro-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
CID 50874619
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
(2S)-2-(2-chlorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 97267417
N-[(3-fluorophenyl)methyl]-N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 55828151

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (CID 34718526) is N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is COc1cccc(-c2noc(CN(Cc3c(F)cccc3Cl)C3CC3)n2)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is FDARVCPZXADLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-26-15-5-2-4-13(10-15)20-23-19(27-24-20)12-25(14-8-9-14)11-16-17(21)6-3-7-18(16)22/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 387.84 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 34718526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).