4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide

C17H15FN2O2S — CID 110641311

IUPAC4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
SMILESCc1oc(-c2cccs2)nc1CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-11-14(20-17(22-11)15-3-2-10-23-15)8-9-19-16(21)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyDBSITIXMWTWHAB-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.82
Rot. Bonds5

About 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide

4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide (PubChem CID 110641311) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
PubChem CID110641311
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
SMILESCc1oc(-c2cccs2)nc1CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-11-14(20-17(22-11)15-3-2-10-23-15)8-9-19-16(21)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyDBSITIXMWTWHAB-UHFFFAOYSA-N
XLogP3.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110415454
2-ethyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110415415
N-[2-(3-fluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31844590
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
2-(4-ethoxyphenyl)-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110641317
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
N-[2-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 25475926
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
CID 110641335
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methoxybenzamide
CID 110415136

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide (CID 110641311) is 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide is Cc1oc(-c2cccs2)nc1CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide?
The InChIKey is DBSITIXMWTWHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-14(20-17(22-11)15-3-2-10-23-15)8-9-19-16(21)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide?
4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110641311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).