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

C15H17FN2O2S — CID 134021342

IUPAC2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)SC(C)c2ccc(F)cc2)no1
InChIInChI=1S/C15H17FN2O2S/c1-9-8-14(18-20-9)17-15(19)11(3)21-10(2)12-4-6-13(16)7-5-12/h4-8,10-11H,1-3H3,(H,17,18,19)
InChIKeyRKFHDPSSGVLPEF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.94
Rot. Bonds5

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

2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 134021342) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID134021342
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)SC(C)c2ccc(F)cc2)no1
InChIInChI=1S/C15H17FN2O2S/c1-9-8-14(18-20-9)17-15(19)11(3)21-10(2)12-4-6-13(16)7-5-12/h4-8,10-11H,1-3H3,(H,17,18,19)
InChIKeyRKFHDPSSGVLPEF-UHFFFAOYSA-N
XLogP3.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94038397
(2S)-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51927010
3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110353718
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 40607845
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]urea
CID 95351163
(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide
CID 94217660
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
2-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43060840
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9368665
2-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110296524

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 134021342) is 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)SC(C)c2ccc(F)cc2)no1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is RKFHDPSSGVLPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-9-8-14(18-20-9)17-15(19)11(3)21-10(2)12-4-6-13(16)7-5-12/h4-8,10-11H,1-3H3,(H,17,18,19).
What are the key properties of 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 134021342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).