(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C19H18ClN3O3S — CID 7611624

IUPAC(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)o2)c1
InChIInChI=1S/C19H18ClN3O3S/c1-12-5-3-8-16(9-12)25-11-17-22-23-19(26-17)27-13(2)18(24)21-15-7-4-6-14(20)10-15/h3-10,13H,11H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyBSCOWUDIRIIXHP-ZDUSSCGKSA-N
MW403.89 g/mol
LogP4.73
Rot. Bonds7

About (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7611624) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID7611624
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)o2)c1
InChIInChI=1S/C19H18ClN3O3S/c1-12-5-3-8-16(9-12)25-11-17-22-23-19(26-17)27-13(2)18(24)21-15-7-4-6-14(20)10-15/h3-10,13H,11H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyBSCOWUDIRIIXHP-ZDUSSCGKSA-N
XLogP4.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7612344
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CID 17473901
(2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25432599
(2S)-N-(3-chlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556659
N-(3-chlorophenyl)-2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 99944355
2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 45355207
N-(3-chlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78524441
N-(3-methoxyphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7612561
3-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 30099546
(2R)-N-(3-chlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808538
(2S)-2-[[5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 862352
N-(3-chlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78765954

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 7611624) is (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)o2)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is BSCOWUDIRIIXHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-12-5-3-8-16(9-12)25-11-17-22-23-19(26-17)27-13(2)18(24)21-15-7-4-6-14(20)10-15/h3-10,13H,11H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 403.89 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7611624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).