2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide

C19H17ClN2O2S — CID 42951264

IUPAC2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide
SMILESCC(SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c1-13(18(23)21-16-5-3-2-4-6-16)25-12-17-11-24-19(22-17)14-7-9-15(20)10-8-14/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyYQNXNMNBEAHLIT-UHFFFAOYSA-N
MW372.88 g/mol
LogP5.26
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide

2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide (PubChem CID 42951264) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide
PubChem CID42951264
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide
SMILESCC(SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c1-13(18(23)21-16-5-3-2-4-6-16)25-12-17-11-24-19(22-17)14-7-9-15(20)10-8-14/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyYQNXNMNBEAHLIT-UHFFFAOYSA-N
XLogP5.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.88
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,5-dimethylphenyl)propanamide
CID 46581063
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46581074
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]butanoic acid
CID 105352747
(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 66138932
(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 7731462
2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17297277
methyl 2-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoate
CID 75510877
(2R)-2-benzylsulfanyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 94810682
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66104930
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]butan-1-amine
CID 66227894

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide (CID 42951264) is 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide is CC(SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide?
The InChIKey is YQNXNMNBEAHLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-13(18(23)21-16-5-3-2-4-6-16)25-12-17-11-24-19(22-17)14-7-9-15(20)10-8-14/h2-11,13H,12H2,1H3,(H,21,23).
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide?
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide has a molecular weight of 372.88 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 42951264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).