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

C18H20N4O2 — CID 110652774

IUPACN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCOc1cccc(-c2nnc(CN(C)CCc3ccncc3)o2)c1
InChIInChI=1S/C18H20N4O2/c1-22(11-8-14-6-9-19-10-7-14)13-17-20-21-18(24-17)15-4-3-5-16(12-15)23-2/h3-7,9-10,12H,8,11,13H2,1-2H3
InChIKeyRVZXOBJLCBFXMG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.81
Rot. Bonds7

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

N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 110652774) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID110652774
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCOc1cccc(-c2nnc(CN(C)CCc3ccncc3)o2)c1
InChIInChI=1S/C18H20N4O2/c1-22(11-8-14-6-9-19-10-7-14)13-17-20-21-18(24-17)15-4-3-5-16(12-15)23-2/h3-7,9-10,12H,8,11,13H2,1-2H3
InChIKeyRVZXOBJLCBFXMG-UHFFFAOYSA-N
XLogP2.81
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211
N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652871
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
N-methyl-2-(3-methylphenoxy)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 78827666
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 110652765
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334870
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
CID 110321810
2-(4-chlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 110652780

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine (CID 110652774) is N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine is COc1cccc(-c2nnc(CN(C)CCc3ccncc3)o2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is RVZXOBJLCBFXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22(11-8-14-6-9-19-10-7-14)13-17-20-21-18(24-17)15-4-3-5-16(12-15)23-2/h3-7,9-10,12H,8,11,13H2,1-2H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 324.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 110652774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).