N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide

C13H15N3O3 — CID 95306662

IUPACN-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O[C@@H](C)c2nc(C)no2)cc1
InChIInChI=1S/C13H15N3O3/c1-8(13-14-9(2)16-19-13)18-12-6-4-11(5-7-12)15-10(3)17/h4-8H,1-3H3,(H,15,17)/t8-/m0/s1
InChIKeyQDSZZHFYZZDQMU-QMMMGPOBSA-N
MW261.28 g/mol
LogP2.48
Rot. Bonds4

About N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide

N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide (PubChem CID 95306662) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
PubChem CID95306662
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O[C@@H](C)c2nc(C)no2)cc1
InChIInChI=1S/C13H15N3O3/c1-8(13-14-9(2)16-19-13)18-12-6-4-11(5-7-12)15-10(3)17/h4-8H,1-3H3,(H,15,17)/t8-/m0/s1
InChIKeyQDSZZHFYZZDQMU-QMMMGPOBSA-N
XLogP2.48
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95788948
5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole
CID 134040196
2-methyl-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]anilino]-3-oxopropanoic acid
CID 122099641
4-ethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 95337872
1-[4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]ethanone
CID 95981863
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
N-[4-[(2R)-2-hydroxy-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propoxy]phenyl]acetamide
CID 36970741
(2S)-2-amino-4-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]pentanamide
CID 119782500
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methyl-4-propan-2-yloxyphenyl)urea
CID 95307029
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide (CID 95306662) is N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(O[C@@H](C)c2nc(C)no2)cc1.
What is the InChIKey of N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide?
The InChIKey is QDSZZHFYZZDQMU-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(13-14-9(2)16-19-13)18-12-6-4-11(5-7-12)15-10(3)17/h4-8H,1-3H3,(H,15,17)/t8-/m0/s1.
What are the key properties of N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide?
N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 95306662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).