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

C15H18ClN3O2 — CID 146124489

IUPAC2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc(C(C)NC(=O)C(C)(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3O2/c1-9(13-18-10(2)19-21-13)17-14(20)15(3,4)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20)
InChIKeyXUOSQAJXWSBKGO-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.19
Rot. Bonds4

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

2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 146124489) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID146124489
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCc1noc(C(C)NC(=O)C(C)(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3O2/c1-9(13-18-10(2)19-21-13)17-14(20)15(3,4)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20)
InChIKeyXUOSQAJXWSBKGO-UHFFFAOYSA-N
XLogP3.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 7449710
(2R)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560493
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 94806137
2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide
CID 166201798
2-(2,4-dichlorophenoxy)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 60606511
2-(2,5-dichlorophenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820566
2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97315521
2-(N-methylanilino)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97008975
2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94789301

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 146124489) is 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is Cc1noc(C(C)NC(=O)C(C)(C)c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is XUOSQAJXWSBKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9(13-18-10(2)19-21-13)17-14(20)15(3,4)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20).
What are the key properties of 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 307.78 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 146124489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).