5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide

C20H21N3O3 — CID 22431824

IUPAC5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1Cc1nnc(C(=O)NCCc2ccc(C)cc2)o1
InChIInChI=1S/C20H21N3O3/c1-14-7-9-15(10-8-14)11-12-21-19(24)20-23-22-18(26-20)13-16-5-3-4-6-17(16)25-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyCANOQDPDUKIFFX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds7

About 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide

5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431824) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431824
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1Cc1nnc(C(=O)NCCc2ccc(C)cc2)o1
InChIInChI=1S/C20H21N3O3/c1-14-7-9-15(10-8-14)11-12-21-19(24)20-23-22-18(26-20)13-16-5-3-4-6-17(16)25-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyCANOQDPDUKIFFX-UHFFFAOYSA-N
XLogP2.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113
5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431765
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
5-[(2-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431914
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705225
2-methoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320225

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431824) is 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1Cc1nnc(C(=O)NCCc2ccc(C)cc2)o1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is CANOQDPDUKIFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-7-9-15(10-8-14)11-12-21-19(24)20-23-22-18(26-20)13-16-5-3-4-6-17(16)25-2/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).