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

C17H15ClN2O2S — CID 110415454

IUPAC3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
SMILESCc1oc(-c2cccs2)nc1CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2S/c1-11-14(20-17(22-11)15-6-3-9-23-15)7-8-19-16(21)12-4-2-5-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21)
InChIKeyHEUNTEXVICSHLO-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.34
Rot. Bonds5

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

3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide (PubChem CID 110415454) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
PubChem CID110415454
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
SMILESCc1oc(-c2cccs2)nc1CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2S/c1-11-14(20-17(22-11)15-6-3-9-23-15)7-8-19-16(21)12-4-2-5-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21)
InChIKeyHEUNTEXVICSHLO-UHFFFAOYSA-N
XLogP4.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110641311
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
3-chloro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641258
2-ethyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110415415
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide
CID 55659288
N-[2-(3-fluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31844590
2-(4-ethoxyphenyl)-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110641317
N-[(3-chlorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24665990
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide (CID 110415454) is 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide is Cc1oc(-c2cccs2)nc1CCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide?
The InChIKey is HEUNTEXVICSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-11-14(20-17(22-11)15-6-3-9-23-15)7-8-19-16(21)12-4-2-5-13(18)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide?
3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide has a molecular weight of 346.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110415454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).