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

C18H13F3N2O3S — CID 67315719

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C18H13F3N2O3S/c1-23(10-12-9-13(22-26-12)11-5-3-2-4-6-11)17(25)15-8-7-14(27-15)16(24)18(19,20)21/h2-9H,10H2,1H3
InChIKeyQEDGSWWDGYUDTO-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.42
Rot. Bonds5

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

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67315719) has the molecular formula C18H13F3N2O3S and a molecular weight of 394.37 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67315719
Molecular FormulaC18H13F3N2O3S
Molecular Weight394.37 g/mol
Exact Mass394.06
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C18H13F3N2O3S/c1-23(10-12-9-13(22-26-12)11-5-3-2-4-6-11)17(25)15-8-7-14(27-15)16(24)18(19,20)21/h2-9H,10H2,1H3
InChIKeyQEDGSWWDGYUDTO-UHFFFAOYSA-N
XLogP4.42
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67315719) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is QEDGSWWDGYUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3S/c1-23(10-12-9-13(22-26-12)11-5-3-2-4-6-11)17(25)15-8-7-14(27-15)16(24)18(19,20)21/h2-9H,10H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 394.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67315719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).