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

C18H17N3O3 — CID 95788948

IUPACN-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O[C@@H](C)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O3/c1-12(23-16-10-8-15(9-11-16)19-13(2)22)18-20-17(21-24-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyNUCFEGMJTJNIMT-LBPRGKRZSA-N
MW323.35 g/mol
LogP3.84
Rot. Bonds5

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

N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide (PubChem CID 95788948) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
PubChem CID95788948
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(O[C@@H](C)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H17N3O3/c1-12(23-16-10-8-15(9-11-16)19-13(2)22)18-20-17(21-24-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyNUCFEGMJTJNIMT-LBPRGKRZSA-N
XLogP3.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
N-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95306662
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
CID 71377168
N-[1-[3-[4-(4-propan-2-yloxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 134135268
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide (CID 95788948) is N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(O[C@@H](C)c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide?
The InChIKey is NUCFEGMJTJNIMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(23-16-10-8-15(9-11-16)19-13(2)22)18-20-17(21-24-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide?
N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.84, 5 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-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 95788948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).