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

C19H19N3O3 — CID 83277541

IUPACN-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2noc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H19N3O3/c1-12-4-6-15(7-5-12)19-21-17(22-25-19)18(23)20-13(2)14-8-10-16(24-3)11-9-14/h4-11,13H,1-3H3,(H,20,23)
InChIKeyIDRJSFCJOXSKID-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.54
Rot. Bonds5

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

N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 83277541) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID83277541
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2noc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H19N3O3/c1-12-4-6-15(7-5-12)19-21-17(22-25-19)18(23)20-13(2)14-8-10-16(24-3)11-9-14/h4-11,13H,1-3H3,(H,20,23)
InChIKeyIDRJSFCJOXSKID-UHFFFAOYSA-N
XLogP3.54
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
N-[1-(4-methoxyphenyl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051433
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide (CID 83277541) is N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide is COc1ccc(C(C)NC(=O)c2noc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IDRJSFCJOXSKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-4-6-15(7-5-12)19-21-17(22-25-19)18(23)20-13(2)14-8-10-16(24-3)11-9-14/h4-11,13H,1-3H3,(H,20,23).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 83277541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).