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

C20H23N3O4 — CID 23723909

IUPACN-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCOc1ccc(-c2noc(CN(C)Cc3ccccc3)n2)c(OC)c1OC
InChIInChI=1S/C20H23N3O4/c1-23(12-14-8-6-5-7-9-14)13-17-21-20(22-27-17)15-10-11-16(24-2)19(26-4)18(15)25-3/h5-11H,12-13H2,1-4H3
InChIKeyRRSATCJMKFCCBQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.39
Rot. Bonds8

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

N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 23723909) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID23723909
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCOc1ccc(-c2noc(CN(C)Cc3ccccc3)n2)c(OC)c1OC
InChIInChI=1S/C20H23N3O4/c1-23(12-14-8-6-5-7-9-14)13-17-21-20(22-27-17)15-10-11-16(24-2)19(26-4)18(15)25-3/h5-11H,12-13H2,1-4H3
InChIKeyRRSATCJMKFCCBQ-UHFFFAOYSA-N
XLogP3.39
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 23723909) is N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is COc1ccc(-c2noc(CN(C)Cc3ccccc3)n2)c(OC)c1OC.
What is the InChIKey of N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is RRSATCJMKFCCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-23(12-14-8-6-5-7-9-14)13-17-21-20(22-27-17)15-10-11-16(24-2)19(26-4)18(15)25-3/h5-11H,12-13H2,1-4H3.
What are the key properties of N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 369.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 23723909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).