N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

C16H11F3N2O2S — CID 2740128

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)no1
InChIInChI=1S/C16H11F3N2O2S/c1-9-7-13(21-23-9)20-15(22)12-8-11(10-5-3-2-4-6-10)14(24-12)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyTTWUZZJRHOUZSO-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.98
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 2740128) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID2740128
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)no1
InChIInChI=1S/C16H11F3N2O2S/c1-9-7-13(21-23-9)20-15(22)12-8-11(10-5-3-2-4-6-10)14(24-12)16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyTTWUZZJRHOUZSO-UHFFFAOYSA-N
XLogP4.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 2740128) is N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is TTWUZZJRHOUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-9-7-13(21-23-9)20-15(22)12-8-11(10-5-3-2-4-6-10)14(24-12)16(17,18)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 2740128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).