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

C20H23N3O2S — CID 155532649

IUPACN-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C)sc2-c2cc(C)on2)cc1
InChIInChI=1S/C20H23N3O2S/c1-5-23(6-2)16-9-7-15(8-10-16)21-20(24)17-12-14(4)26-19(17)18-11-13(3)25-22-18/h7-12H,5-6H2,1-4H3,(H,21,24)
InChIKeyPNEFNUQMTMNGAO-UHFFFAOYSA-N
MW369.49 g/mol
LogP5.12
Rot. Bonds6

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

N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide (PubChem CID 155532649) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide
PubChem CID155532649
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C)sc2-c2cc(C)on2)cc1
InChIInChI=1S/C20H23N3O2S/c1-5-23(6-2)16-9-7-15(8-10-16)21-20(24)17-12-14(4)26-19(17)18-11-13(3)25-22-18/h7-12H,5-6H2,1-4H3,(H,21,24)
InChIKeyPNEFNUQMTMNGAO-UHFFFAOYSA-N
XLogP5.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide (CID 155532649) is N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(C)sc2-c2cc(C)on2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide?
The InChIKey is PNEFNUQMTMNGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-5-23(6-2)16-9-7-15(8-10-16)21-20(24)17-12-14(4)26-19(17)18-11-13(3)25-22-18/h7-12H,5-6H2,1-4H3,(H,21,24).
What are the key properties of N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide?
N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-methyl-2-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 155532649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).