N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide

C18H13N3O2S — CID 78832475

IUPACN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1ccnc2ccccc12
InChIInChI=1S/C18H13N3O2S/c22-17(14-7-8-19-15-5-2-1-4-13(14)15)20-10-12-11-23-18(21-12)16-6-3-9-24-16/h1-9,11H,10H2,(H,20,22)
InChIKeyJJAZKTPKZYJFKP-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.88
Rot. Bonds4

About N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide

N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 78832475) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID78832475
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1ccnc2ccccc12
InChIInChI=1S/C18H13N3O2S/c22-17(14-7-8-19-15-5-2-1-4-13(14)15)20-10-12-11-23-18(21-12)16-6-3-9-24-16/h1-9,11H,10H2,(H,20,22)
InChIKeyJJAZKTPKZYJFKP-UHFFFAOYSA-N
XLogP3.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide (CID 78832475) is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide is O=C(NCc1coc(-c2cccs2)n1)c1ccnc2ccccc12.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is JJAZKTPKZYJFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17(14-7-8-19-15-5-2-1-4-13(14)15)20-10-12-11-23-18(21-12)16-6-3-9-24-16/h1-9,11H,10H2,(H,20,22).
What are the key properties of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide?
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 78832475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).