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

C22H21N3O2S — CID 31480110

IUPAC1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1nnc(-c2ccccc2)o1)Cc1cccs1
InChIInChI=1S/C22H21N3O2S/c1-26-20-12-6-5-10-18(20)14-25(15-19-11-7-13-28-19)16-21-23-24-22(27-21)17-8-3-2-4-9-17/h2-13H,14-16H2,1H3
InChIKeyOQMIWWRCTYKHPU-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.01
Rot. Bonds8

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

1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 31480110) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID31480110
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1nnc(-c2ccccc2)o1)Cc1cccs1
InChIInChI=1S/C22H21N3O2S/c1-26-20-12-6-5-10-18(20)14-25(15-19-11-7-13-28-19)16-21-23-24-22(27-21)17-8-3-2-4-9-17/h2-13H,14-16H2,1H3
InChIKeyOQMIWWRCTYKHPU-UHFFFAOYSA-N
XLogP5.01
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 78818364
1-(2-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 26606766
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 129255543
N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112796417
7-hydroxy-4-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methylchromen-2-one
CID 9304335
1-[4-(difluoromethylsulfonyl)phenyl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 112803273
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 112795029
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
N-(3-acetamidophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 78788084

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine (CID 31480110) is 1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine is COc1ccccc1CN(Cc1nnc(-c2ccccc2)o1)Cc1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is OQMIWWRCTYKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-26-20-12-6-5-10-18(20)14-25(15-19-11-7-13-28-19)16-21-23-24-22(27-21)17-8-3-2-4-9-17/h2-13H,14-16H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine?
1-(2-methoxyphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 391.50 g/mol, XLogP of 5.01, 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-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 31480110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).