N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide

C19H19N3O3 — CID 167750655

IUPACN-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1nc(-c2cccc(Oc3ccccc3)c2)no1
InChIInChI=1S/C19H19N3O3/c1-13(23)21-19(2,3)18-20-17(22-25-18)14-8-7-11-16(12-14)24-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,21,23)
InChIKeyXPSHBEVIYLTHNP-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.90
Rot. Bonds5

About N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide

N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide (PubChem CID 167750655) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide
PubChem CID167750655
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1nc(-c2cccc(Oc3ccccc3)c2)no1
InChIInChI=1S/C19H19N3O3/c1-13(23)21-19(2,3)18-20-17(22-25-18)14-8-7-11-16(12-14)24-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,21,23)
InChIKeyXPSHBEVIYLTHNP-UHFFFAOYSA-N
XLogP3.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate
CID 101095799
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
5-[chloro(difluoro)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
CID 175189888
3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921186
5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 139000879
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
CID 57202777
5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole
CID 176625799
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 99809978
N-[2-[5-(5-phenoxyfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 71978816
4-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]benzamide
CID 134337628

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide (CID 167750655) is N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1nc(-c2cccc(Oc3ccccc3)c2)no1.
What is the InChIKey of N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide?
The InChIKey is XPSHBEVIYLTHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(23)21-19(2,3)18-20-17(22-25-18)14-8-7-11-16(12-14)24-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,21,23).
What are the key properties of N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide?
N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide is sourced from PubChem (CID 167750655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).