N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C17H11F3N2O3S — CID 67315503

IUPACN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)on1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C17H11F3N2O3S/c18-17(19,20)15(23)13-6-7-14(26-13)16(24)21-9-11-8-12(25-22-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,24)
InChIKeyRZULIECMMPUBGK-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.08
Rot. Bonds5

About N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67315503) has the molecular formula C17H11F3N2O3S and a molecular weight of 380.35 g/mol. Its IUPAC name is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67315503
Molecular FormulaC17H11F3N2O3S
Molecular Weight380.35 g/mol
Exact Mass380.04
IUPAC NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)on1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C17H11F3N2O3S/c18-17(19,20)15(23)13-6-7-14(26-13)16(24)21-9-11-8-12(25-22-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,24)
InChIKeyRZULIECMMPUBGK-UHFFFAOYSA-N
XLogP4.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67315503) is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NCc1cc(-c2ccccc2)on1)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is RZULIECMMPUBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3S/c18-17(19,20)15(23)13-6-7-14(26-13)16(24)21-9-11-8-12(25-22-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,24).
What are the key properties of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 380.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67315503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).