N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C18H14F4N2O3S — CID 86899332

IUPACN-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ncoc1-c1cccs1
InChIInChI=1S/C18H14F4N2O3S/c19-17(20)18(21,22)9-26-8-11-3-1-4-12(7-11)24-16(25)14-15(27-10-23-14)13-5-2-6-28-13/h1-7,10,17H,8-9H2,(H,24,25)
InChIKeyYLWDFJVHRHIFEH-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.07
Rot. Bonds8

About N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 86899332) has the molecular formula C18H14F4N2O3S and a molecular weight of 414.38 g/mol. Its IUPAC name is N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID86899332
Molecular FormulaC18H14F4N2O3S
Molecular Weight414.38 g/mol
Exact Mass414.07
IUPAC NameN-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ncoc1-c1cccs1
InChIInChI=1S/C18H14F4N2O3S/c19-17(20)18(21,22)9-26-8-11-3-1-4-12(7-11)24-16(25)14-15(27-10-23-14)13-5-2-6-28-13/h1-7,10,17H,8-9H2,(H,24,25)
InChIKeyYLWDFJVHRHIFEH-UHFFFAOYSA-N
XLogP5.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347103
N-(3-fluoro-4-methylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347104
3-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86877132
2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118828
1-(4-fluorophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]triazole-4-carboxamide
CID 86881382
2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide
CID 86890323
4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
CID 51118830
N-(2-carbamoylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 16672225
1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 87003591
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86904726
N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75467874
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 86899332) is N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ncoc1-c1cccs1.
What is the InChIKey of N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is YLWDFJVHRHIFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O3S/c19-17(20)18(21,22)9-26-8-11-3-1-4-12(7-11)24-16(25)14-15(27-10-23-14)13-5-2-6-28-13/h1-7,10,17H,8-9H2,(H,24,25).
What are the key properties of N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 414.38 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86899332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).