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

C18H19N3O2 — CID 110652564

IUPACN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1ccccc1-c1nnc(CNCc2ccc(C)cc2)o1
InChIInChI=1S/C18H19N3O2/c1-13-7-9-14(10-8-13)11-19-12-17-20-21-18(23-17)15-5-3-4-6-16(15)22-2/h3-10,19H,11-12H2,1-2H3
InChIKeyVIBZLSHXKOIDPB-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.34
Rot. Bonds6

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

N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine (PubChem CID 110652564) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine
PubChem CID110652564
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCOc1ccccc1-c1nnc(CNCc2ccc(C)cc2)o1
InChIInChI=1S/C18H19N3O2/c1-13-7-9-14(10-8-13)11-19-12-17-20-21-18(23-17)15-5-3-4-6-16(15)22-2/h3-10,19H,11-12H2,1-2H3
InChIKeyVIBZLSHXKOIDPB-UHFFFAOYSA-N
XLogP3.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 110652632
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
2-methoxy-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylaniline
CID 110652671
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 110652635
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,4,6-trimethylaniline
CID 110652646
2-bromo-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
CID 94991608
4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110652725
N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334732
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
3-fluoro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652698
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine (CID 110652564) is N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine is COc1ccccc1-c1nnc(CNCc2ccc(C)cc2)o1.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is VIBZLSHXKOIDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-7-9-14(10-8-13)11-19-12-17-20-21-18(23-17)15-5-3-4-6-16(15)22-2/h3-10,19H,11-12H2,1-2H3.
What are the key properties of N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine?
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 309.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 110652564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).