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

C18H19N3O3 — CID 110653148

IUPACN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
SMILESCOc1ccc(-c2nnc(CNc3ccc(C)cc3)o2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-12-4-7-14(8-5-12)19-11-17-20-21-18(24-17)13-6-9-15(22-2)16(10-13)23-3/h4-10,19H,11H2,1-3H3
InChIKeySLHPVDOWGXPNRW-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.67
Rot. Bonds6

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

N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline (PubChem CID 110653148) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
PubChem CID110653148
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline
SMILESCOc1ccc(-c2nnc(CNc3ccc(C)cc3)o2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-12-4-7-14(8-5-12)19-11-17-20-21-18(24-17)13-6-9-15(22-2)16(10-13)23-3/h4-10,19H,11H2,1-3H3
InChIKeySLHPVDOWGXPNRW-UHFFFAOYSA-N
XLogP3.67
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline?
The IUPAC name of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline (CID 110653148) is N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline.
What is the SMILES notation for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline?
The canonical SMILES for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline is COc1ccc(-c2nnc(CNc3ccc(C)cc3)o2)cc1OC.
What is the InChIKey of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline?
The InChIKey is SLHPVDOWGXPNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-4-7-14(8-5-12)19-11-17-20-21-18(24-17)13-6-9-15(22-2)16(10-13)23-3/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline?
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline has a molecular weight of 325.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylaniline is sourced from PubChem (CID 110653148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).