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

C19H21ClN4O3 — CID 46989678

IUPAC1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCOc1cc(Cl)c(CN(C)Cc2nc(-c3ccncc3)no2)cc1OC
InChIInChI=1S/C19H21ClN4O3/c1-4-26-17-10-15(20)14(9-16(17)25-3)11-24(2)12-18-22-19(23-27-18)13-5-7-21-8-6-13/h5-10H,4,11-12H2,1-3H3
InChIKeyKQZROLANPVSHGM-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.82
Rot. Bonds8

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

1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 46989678) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID46989678
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCOc1cc(Cl)c(CN(C)Cc2nc(-c3ccncc3)no2)cc1OC
InChIInChI=1S/C19H21ClN4O3/c1-4-26-17-10-15(20)14(9-16(17)25-3)11-24(2)12-18-22-19(23-27-18)13-5-7-21-8-6-13/h5-10H,4,11-12H2,1-3H3
InChIKeyKQZROLANPVSHGM-UHFFFAOYSA-N
XLogP3.82
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 91835903
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243
1-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9058292
1-(2-chloro-5-nitrophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 24682191
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
2-(4-chloro-3-methylphenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 18524784
1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
CID 46992531
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684
1-(2-chlorophenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 27097699
1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 70751638
2-(2-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanamine
CID 27122658
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 41294544

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 46989678) is 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CCOc1cc(Cl)c(CN(C)Cc2nc(-c3ccncc3)no2)cc1OC.
What is the InChIKey of 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is KQZROLANPVSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-4-26-17-10-15(20)14(9-16(17)25-3)11-24(2)12-18-22-19(23-27-18)13-5-7-21-8-6-13/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 388.86 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 46989678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).