2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide

C16H19ClN2O2S — CID 134007751

IUPAC2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)SCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H19ClN2O2S/c1-3-8-18-16(20)11(2)22-10-14-9-15(19-21-14)12-4-6-13(17)7-5-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,20)
InChIKeyAZBWAGKIFQQDRZ-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.14
Rot. Bonds7

About 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide (PubChem CID 134007751) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
PubChem CID134007751
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)SCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C16H19ClN2O2S/c1-3-8-18-16(20)11(2)22-10-14-9-15(19-21-14)12-4-6-13(17)7-5-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,20)
InChIKeyAZBWAGKIFQQDRZ-UHFFFAOYSA-N
XLogP4.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylcarbamoyl]-3-methylbutanoic acid
CID 167935125
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide
CID 163952439
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 30833272
2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 43058159
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide
CID 42948811
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 50759779
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
(2S)-2-[(2-bromophenyl)methylsulfanyl]-N-propylpropanamide
CID 95152378
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 134007750
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide (CID 134007751) is 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide is CCCNC(=O)C(C)SCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide?
The InChIKey is AZBWAGKIFQQDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-3-8-18-16(20)11(2)22-10-14-9-15(19-21-14)12-4-6-13(17)7-5-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide?
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide has a molecular weight of 338.86 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide is sourced from PubChem (CID 134007751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).