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

C21H23N3O3 — CID 25451977

IUPAC(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)Cc2nnc(C)o2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-22-23-20(27-15)14-24(2)21(25)13-19(16-7-5-4-6-8-16)17-9-11-18(26-3)12-10-17/h4-12,19H,13-14H2,1-3H3/t19-/m0/s1
InChIKeyDKQGWDDMUBFBKD-IBGZPJMESA-N
MW365.43 g/mol
LogP3.57
Rot. Bonds7

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

(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 25451977) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID25451977
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)Cc2nnc(C)o2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-22-23-20(27-15)14-24(2)21(25)13-19(16-7-5-4-6-8-16)17-9-11-18(26-3)12-10-17/h4-12,19H,13-14H2,1-3H3/t19-/m0/s1
InChIKeyDKQGWDDMUBFBKD-IBGZPJMESA-N
XLogP3.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 45198535
(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 97269540
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
4-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 78823277
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
(2S)-2-[3-(methoxymethyl)phenyl]-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 97193852
(3S)-3-(furan-2-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide
CID 95144224
(1R)-1-(4-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-phenylmethanamine
CID 30943877
3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 155952946
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide (CID 25451977) is (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide is COc1ccc([C@@H](CC(=O)N(C)Cc2nnc(C)o2)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is DKQGWDDMUBFBKD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-22-23-20(27-15)14-24(2)21(25)13-19(16-7-5-4-6-8-16)17-9-11-18(26-3)12-10-17/h4-12,19H,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 365.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 25451977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).