(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H15ClN2O3S — CID 95331521

IUPAC(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2Cl)no1
InChIInChI=1S/C14H15ClN2O3S/c1-9-7-13(17-20-9)16-14(18)10(2)21(19)8-11-5-3-4-6-12(11)15/h3-7,10H,8H2,1-2H3,(H,16,17,18)/t10-,21+/m1/s1
InChIKeyHZCKASNZBAKFMO-UZJPJQLHSA-N
MW326.81 g/mol
LogP2.91
Rot. Bonds5

About (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 95331521) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID95331521
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2Cl)no1
InChIInChI=1S/C14H15ClN2O3S/c1-9-7-13(17-20-9)16-14(18)10(2)21(19)8-11-5-3-4-6-12(11)15/h3-7,10H,8H2,1-2H3,(H,16,17,18)/t10-,21+/m1/s1
InChIKeyHZCKASNZBAKFMO-UZJPJQLHSA-N
XLogP2.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51076787
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
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1-[(2-chlorophenyl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125477
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24506904
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962769
4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 110614657
3-[[(S)-(2-chlorophenyl)methylsulfinyl]methyl]-5-methyl-1,2-oxazole
CID 95593609
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 95331521) is (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2Cl)no1.
What is the InChIKey of (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is HZCKASNZBAKFMO-UZJPJQLHSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-7-13(17-20-9)16-14(18)10(2)21(19)8-11-5-3-4-6-12(11)15/h3-7,10H,8H2,1-2H3,(H,16,17,18)/t10-,21+/m1/s1.
What are the key properties of (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 326.81 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 95331521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).