1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

C18H18ClN3O2 — CID 9136681

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCOc1ccc(Cl)cc1CN(C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H18ClN3O2/c1-22(11-14-10-15(19)8-9-16(14)23-2)12-17-20-21-18(24-17)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKeySPKFFVRMFLMEPH-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.03
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 9136681) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID9136681
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCOc1ccc(Cl)cc1CN(C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H18ClN3O2/c1-22(11-14-10-15(19)8-9-16(14)23-2)12-17-20-21-18(24-17)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKeySPKFFVRMFLMEPH-UHFFFAOYSA-N
XLogP4.03
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 9136681) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is COc1ccc(Cl)cc1CN(C)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is SPKFFVRMFLMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-22(11-14-10-15(19)8-9-16(14)23-2)12-17-20-21-18(24-17)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 343.81 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 9136681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).