(5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H17FN2O2S — CID 51726167

IUPAC(5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC=CCSc1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H17FN2O2S/c1-2-10-25-18-9-4-3-8-15(18)21-19(23)17-12-16(22-24-17)13-6-5-7-14(20)11-13/h2-9,11,17H,1,10,12H2,(H,21,23)/t17-/m1/s1
InChIKeyFLXSVEPOZWTYKW-QGZVFWFLSA-N
MW356.42 g/mol
LogP4.24
Rot. Bonds6

About (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51726167) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51726167
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name(5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC=CCSc1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H17FN2O2S/c1-2-10-25-18-9-4-3-8-15(18)21-19(23)17-12-16(22-24-17)13-6-5-7-14(20)11-13/h2-9,11,17H,1,10,12H2,(H,21,23)/t17-/m1/s1
InChIKeyFLXSVEPOZWTYKW-QGZVFWFLSA-N
XLogP4.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
N-(3-chloro-2-fluorophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427461
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095752
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427536
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427997
(5R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51873737
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
methyl 4-fluoro-3-[[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]benzoate
CID 51873768
3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
3-(3-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071660

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51726167) is (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is C=CCSc1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FLXSVEPOZWTYKW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-10-25-18-9-4-3-8-15(18)21-19(23)17-12-16(22-24-17)13-6-5-7-14(20)11-13/h2-9,11,17H,1,10,12H2,(H,21,23)/t17-/m1/s1.
What are the key properties of (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51726167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).