3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H14ClFN2O2S — CID 34946052

IUPAC3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSCc2ccc(F)cc2Cl)no1
InChIInChI=1S/C14H14ClFN2O2S/c1-9-6-13(18-20-9)17-14(19)4-5-21-8-10-2-3-11(16)7-12(10)15/h2-3,6-7H,4-5,8H2,1H3,(H,17,18,19)
InChIKeyMEHWHGGJGNMXOE-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.04
Rot. Bonds6

About 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 34946052) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID34946052
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSCc2ccc(F)cc2Cl)no1
InChIInChI=1S/C14H14ClFN2O2S/c1-9-6-13(18-20-9)17-14(19)4-5-21-8-10-2-3-11(16)7-12(10)15/h2-3,6-7H,4-5,8H2,1H3,(H,17,18,19)
InChIKeyMEHWHGGJGNMXOE-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214
2-methyl-3-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]sulfanylpropanoic acid
CID 64914900
2-chloro-4-fluoro-1-(propylsulfanylmethyl)benzene
CID 112815536
2-[4-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60575652
3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43304529
N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 134001431
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40972075
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
3-[6-chloro-3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112796267
2-(2-amino-4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43304169

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 34946052) is 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCSCc2ccc(F)cc2Cl)no1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is MEHWHGGJGNMXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9-6-13(18-20-9)17-14(19)4-5-21-8-10-2-3-11(16)7-12(10)15/h2-3,6-7H,4-5,8H2,1H3,(H,17,18,19).
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 328.80 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 34946052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).