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

C21H23N3O2 — CID 45352017

IUPACN-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)N(C)C(C)c3ccccc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-9-11-18(12-10-15)21-23-22-19(26-21)13-14-20(25)24(3)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3
InChIKeyVRCDFNGRJDLKAP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.20
Rot. Bonds6

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

N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide (PubChem CID 45352017) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
PubChem CID45352017
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)N(C)C(C)c3ccccc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-9-11-18(12-10-15)21-23-22-19(26-21)13-14-20(25)24(3)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3
InChIKeyVRCDFNGRJDLKAP-UHFFFAOYSA-N
XLogP4.20
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8938536
N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
CID 55599969
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18104453
1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86905277
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55580172
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9089002
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 52906307
N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55753849
N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
CID 78799694
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide (CID 45352017) is N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide is Cc1ccc(-c2nnc(CCC(=O)N(C)C(C)c3ccccc3)o2)cc1.
What is the InChIKey of N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is VRCDFNGRJDLKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-9-11-18(12-10-15)21-23-22-19(26-21)13-14-20(25)24(3)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3.
What are the key properties of N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide?
N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 45352017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).