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

C23H23N3O2S — CID 26606766

IUPAC1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1nc(-c2ccc(C)cc2)no1)Cc1cccs1
InChIInChI=1S/C23H23N3O2S/c1-17-9-11-18(12-10-17)23-24-22(28-25-23)16-26(15-20-7-5-13-29-20)14-19-6-3-4-8-21(19)27-2/h3-13H,14-16H2,1-2H3
InChIKeyNETFPPNIASFSLB-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.32
Rot. Bonds8

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

1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 26606766) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID26606766
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1nc(-c2ccc(C)cc2)no1)Cc1cccs1
InChIInChI=1S/C23H23N3O2S/c1-17-9-11-18(12-10-17)23-24-22(28-25-23)16-26(15-20-7-5-13-29-20)14-19-6-3-4-8-21(19)27-2/h3-13H,14-16H2,1-2H3
InChIKeyNETFPPNIASFSLB-UHFFFAOYSA-N
XLogP5.32
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 31480110
1-(2-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 78818364
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243
N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112796417
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51964028
1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 39973516
2,6-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 3164377
7-hydroxy-4-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methylchromen-2-one
CID 9304335
N-[(2-methoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930624
1-[4-(difluoromethylsulfonyl)phenyl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 112803273

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine (CID 26606766) is 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine is COc1ccccc1CN(Cc1nc(-c2ccc(C)cc2)no1)Cc1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is NETFPPNIASFSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-17-9-11-18(12-10-17)23-24-22(28-25-23)16-26(15-20-7-5-13-29-20)14-19-6-3-4-8-21(19)27-2/h3-13H,14-16H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine?
1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 405.52 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 26606766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).