N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C20H21N3O2 — CID 110334212

IUPACN-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCc1ccc(NC(=O)CCc2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-15-8-10-16(11-9-15)21-18(24)12-13-19-22-23-20(25-19)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyNSSFYQSACQJMBP-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.18
Rot. Bonds6

About N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334212) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334212
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCc1ccc(NC(=O)CCc2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-15-8-10-16(11-9-15)21-18(24)12-13-19-22-23-20(25-19)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyNSSFYQSACQJMBP-UHFFFAOYSA-N
XLogP4.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
CID 110334119
N-cyclopropyl-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334118
methyl 4-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334549
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
(2R)-N-(4-ethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7682862
2-(4-fluorophenyl)-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321192
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
N-(3-chloro-4-fluorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334529
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110333919

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334212) is N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CCc1ccc(NC(=O)CCc2nnc(-c3ccccc3C)o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is NSSFYQSACQJMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-15-8-10-16(11-9-15)21-18(24)12-13-19-22-23-20(25-19)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).