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

C14H19N3O3 — CID 171702275

IUPAC1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCOc1cc(CN(C)Cc2nnc(C)o2)cc(OC)c1
InChIInChI=1S/C14H19N3O3/c1-10-15-16-14(20-10)9-17(2)8-11-5-12(18-3)7-13(6-11)19-4/h5-7H,8-9H2,1-4H3
InChIKeyXEXRYVWTYWWCNM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.03
Rot. Bonds6

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

1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 171702275) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID171702275
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCOc1cc(CN(C)Cc2nnc(C)o2)cc(OC)c1
InChIInChI=1S/C14H19N3O3/c1-10-15-16-14(20-10)9-17(2)8-11-5-12(18-3)7-13(6-11)19-4/h5-7H,8-9H2,1-4H3
InChIKeyXEXRYVWTYWWCNM-UHFFFAOYSA-N
XLogP2.03
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 126815454
[3-[[(3,5-dimethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751120
1-[1-(2-methoxyethyl)imidazol-2-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 77078626
4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 78823277
(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 25451977
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86984051
1-(4-ethoxyphenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 34689783
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(6-methoxynaphthalen-2-yl)-N-methylmethanamine
CID 46615095
methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
CID 60969554
1-[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 25370859
3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine
CID 174995301
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 171702275) is 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is COc1cc(CN(C)Cc2nnc(C)o2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is XEXRYVWTYWWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-15-16-14(20-10)9-17(2)8-11-5-12(18-3)7-13(6-11)19-4/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 277.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 171702275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).