N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide

C15H17FN2O2S — CID 46097068

IUPACN-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCSCCNC(=O)c1c(C)noc1-c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-3-21-8-7-17-15(19)13-10(2)18-20-14(13)11-5-4-6-12(16)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyKHRRYJWCYGHOOY-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.27
Rot. Bonds6

About N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide

N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46097068) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46097068
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCSCCNC(=O)c1c(C)noc1-c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-3-21-8-7-17-15(19)13-10(2)18-20-14(13)11-5-4-6-12(16)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyKHRRYJWCYGHOOY-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097230
5-(3-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide
CID 46096716
5-(3-fluorophenyl)-N-[2-(6-methoxy-3-pyridinyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097261
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096840
N-(2-ethoxyethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46097083
N-(3-methoxypropyl)-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46096966
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 46096909
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 82387243
5-(2-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 46097174
5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46093942
5-(3,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097321

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 46097068) is N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide is CCSCCNC(=O)c1c(C)noc1-c1cccc(F)c1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KHRRYJWCYGHOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-21-8-7-17-15(19)13-10(2)18-20-14(13)11-5-4-6-12(16)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide?
N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-5-(3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).