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

C17H21N3O3 — CID 124843527

IUPACN-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCC(C)[C@H]1OCC[C@@H]1c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C17H21N3O3/c1-11(2)16-13(8-9-22-16)17-19-14(20-23-17)10-15(21)18-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,18,21)/t13-,16+/m0/s1
InChIKeyDWJKCFHQKAVWGU-XJKSGUPXSA-N
MW315.37 g/mol
LogP2.78
Rot. Bonds5

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

N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 124843527) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID124843527
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCC(C)[C@H]1OCC[C@@H]1c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C17H21N3O3/c1-11(2)16-13(8-9-22-16)17-19-14(20-23-17)10-15(21)18-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,18,21)/t13-,16+/m0/s1
InChIKeyDWJKCFHQKAVWGU-XJKSGUPXSA-N
XLogP2.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S,3R)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851427
5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851426
N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 100659849
2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 174238017
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838525
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838527
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
N-(4-methylphenyl)-2-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835397
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide (CID 124843527) is N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide is CC(C)[C@H]1OCC[C@@H]1c1nc(CC(=O)Nc2ccccc2)no1.
What is the InChIKey of N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is DWJKCFHQKAVWGU-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)16-13(8-9-22-16)17-19-14(20-23-17)10-15(21)18-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,18,21)/t13-,16+/m0/s1.
What are the key properties of N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide?
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 124843527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).