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

C15H18ClN3O3 — CID 100757475

IUPAC3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H18ClN3O3/c1-10(9-21-2)17-13(20)6-7-14-18-15(19-22-14)11-4-3-5-12(16)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyZWIKOAXCPYVNAX-SNVBAGLBSA-N
MW323.78 g/mol
LogP2.47
Rot. Bonds7

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

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide (PubChem CID 100757475) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
PubChem CID100757475
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H18ClN3O3/c1-10(9-21-2)17-13(20)6-7-14-18-15(19-22-14)11-4-3-5-12(16)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyZWIKOAXCPYVNAX-SNVBAGLBSA-N
XLogP2.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 100757399
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94051750
2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111813757
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 43934339
N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99865931
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 110330804
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757053
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100754453
N-[1-(4-chlorophenyl)ethyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133200580
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9181748

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide (CID 100757475) is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide is COC[C@@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide?
The InChIKey is ZWIKOAXCPYVNAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-10(9-21-2)17-13(20)6-7-14-18-15(19-22-14)11-4-3-5-12(16)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide?
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide has a molecular weight of 323.78 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 100757475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).