2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

C17H21N3O3S — CID 121021978

IUPAC2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1nc(C2CCSCC2)no1
InChIInChI=1S/C17H21N3O3S/c1-12(22-14-5-3-2-4-6-14)17(21)18-11-15-19-16(20-23-15)13-7-9-24-10-8-13/h2-6,12-13H,7-11H2,1H3,(H,18,21)
InChIKeyWUEWQXJCLMGBPE-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.76
Rot. Bonds6

About 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 121021978) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID121021978
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1nc(C2CCSCC2)no1
InChIInChI=1S/C17H21N3O3S/c1-12(22-14-5-3-2-4-6-14)17(21)18-11-15-19-16(20-23-15)13-7-9-24-10-8-13/h2-6,12-13H,7-11H2,1H3,(H,18,21)
InChIKeyWUEWQXJCLMGBPE-UHFFFAOYSA-N
XLogP2.76
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810
N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 119104794
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 7393230
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]urea
CID 94650251
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-2-phenoxypropanamide
CID 16867418
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 122160549
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
CID 125443249
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 122566735
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3-hydroxy-3-phenylpropyl)-1-methylurea
CID 122561757
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 121021978) is 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is CC(Oc1ccccc1)C(=O)NCc1nc(C2CCSCC2)no1.
What is the InChIKey of 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is WUEWQXJCLMGBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(22-14-5-3-2-4-6-14)17(21)18-11-15-19-16(20-23-15)13-7-9-24-10-8-13/h2-6,12-13H,7-11H2,1H3,(H,18,21).
What are the key properties of 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 121021978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).