N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

C17H15FN2O2S — CID 46097124

IUPACN-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-11-15(16(22-20-11)14-3-2-10-23-14)17(21)19-9-8-12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyGMFZQFLNQASYIV-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46097124) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46097124
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-11-15(16(22-20-11)14-3-2-10-23-14)17(21)19-9-8-12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyGMFZQFLNQASYIV-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46097124) is N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GMFZQFLNQASYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-15(16(22-20-11)14-3-2-10-23-14)17(21)19-9-8-12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide 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 N-[2-(4-fluorophenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).