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

C16H22N4O2 — CID 86287206

IUPAC(2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1nnc(CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)o1
InChIInChI=1S/C16H22N4O2/c1-12-17-18-15(22-12)11-20(4)16(21)14(19(2)3)10-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyYWWQMZDPIBHWBB-AWEZNQCLSA-N
MW302.38 g/mol
LogP1.51
Rot. Bonds6

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

(2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 86287206) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID86287206
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1nnc(CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)o1
InChIInChI=1S/C16H22N4O2/c1-12-17-18-15(22-12)11-20(4)16(21)14(19(2)3)10-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyYWWQMZDPIBHWBB-AWEZNQCLSA-N
XLogP1.51
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-{3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanoyl}-3-pyrrolidinamine
CID 16190595
(3S)-1-ethyl-3-methyl-4-{3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoyl}piperazin-2-one
CID 16191043
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 53514009
2-[(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 56792222
4-Benzyl-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethyl-1,4-diazepan-5-one
CID 56864368
4-Benzyl-3-ethyl-1-[(5-isopropyl-1,3,4-oxadiazol-2-YL)methyl]-1,4-diazepan-5-one
CID 56866765
2-[(4-Benzyl-2-ethylpiperazin-1-yl)methyl]-5-cyclobutyl-1,3,4-oxadiazole
CID 71988753
N-[(5-Ethyl-1,3,4-oxadiazol-2-YL)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-YL)acetamide
CID 72865994
N1-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)-N2-(1-phenylethyl)oxalamide
CID 45584613
1'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(2-phenylethyl)-1,4'-bipiperidine-3-carboxamide
CID 70717224
(4aS*,8aR*)-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-phenylethyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70745118
(2S,5S,11S)-5-benzyl-13-ethyl-2,11-dimethyl-3,6,9,12-tetraaza-1(2,5)-oxadiazolacyclotridecaphane-4,7,10-trione
CID 122164885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide (CID 86287206) is (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide is Cc1nnc(CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)o1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is YWWQMZDPIBHWBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-17-18-15(22-12)11-20(4)16(21)14(19(2)3)10-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
(2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 302.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 86287206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).