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

C17H18N2O2S — CID 130355101

IUPACN,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(C2=NOC(C)(c3ccccc3)C2)cc1C
InChIInChI=1S/C17H18N2O2S/c1-11-9-14(22-15(11)16(20)18-3)13-10-17(2,21-19-13)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyVNSVUEHXWHMJGT-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.46
Rot. Bonds3

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

N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 130355101) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID130355101
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(C2=NOC(C)(c3ccccc3)C2)cc1C
InChIInChI=1S/C17H18N2O2S/c1-11-9-14(22-15(11)16(20)18-3)13-10-17(2,21-19-13)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyVNSVUEHXWHMJGT-UHFFFAOYSA-N
XLogP3.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 130355101) is N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide is CNC(=O)c1sc(C2=NOC(C)(c3ccccc3)C2)cc1C.
What is the InChIKey of N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is VNSVUEHXWHMJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-9-14(22-15(11)16(20)18-3)13-10-17(2,21-19-13)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide?
N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 130355101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).