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

C21H23N3O2 — CID 25460689

IUPAC(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1nnc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2C)o1
InChIInChI=1S/C21H23N3O2/c1-15-9-7-8-12-18(15)19(17-10-5-4-6-11-17)13-21(25)24(3)14-20-23-22-16(2)26-20/h4-12,19H,13-14H2,1-3H3/t19-/m0/s1
InChIKeyZPJGJBAGPAWMEG-IBGZPJMESA-N
MW349.43 g/mol
LogP3.87
Rot. Bonds6

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

(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide (PubChem CID 25460689) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
PubChem CID25460689
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1nnc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2C)o1
InChIInChI=1S/C21H23N3O2/c1-15-9-7-8-12-18(15)19(17-10-5-4-6-11-17)13-21(25)24(3)14-20-23-22-16(2)26-20/h4-12,19H,13-14H2,1-3H3/t19-/m0/s1
InChIKeyZPJGJBAGPAWMEG-IBGZPJMESA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
CID 51107181
N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 52875918
1-[(5-Methyl-1,3,4-oxadiazol-2-YL)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56904163
N-[(5-Ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-YL)acetamide
CID 72865994
2-(2,3-Dihydro-1H-inden-1-YL)-N-[(5-methyl-1,3,4-oxadiazol-2-YL)methyl]acetamide
CID 72882863
1-(4-(5-Isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-2-phenylbutan-1-one
CID 44062037
3-(4-Chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-YL)methyl]-3-phenylpropanamide
CID 45171905
N,N-dimethyl-1-(5-{[4-(3-phenylpropyl)piperidin-1-yl]carbonyl}-1,3,4-oxadiazol-2-yl)methanamine
CID 56878484
2-tert-butyl-5-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95314623
(4S)-2-ethyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97144313
(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
CID 125135822
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-methylphenyl)cyclopentane-1-carboxamide
CID 137997658

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide (CID 25460689) is (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide is Cc1nnc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2C)o1.
What is the InChIKey of (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The InChIKey is ZPJGJBAGPAWMEG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-9-7-8-12-18(15)19(17-10-5-4-6-11-17)13-21(25)24(3)14-20-23-22-16(2)26-20/h4-12,19H,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide?
(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide has a molecular weight of 349.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 25460689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).