5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

C19H14N4O2S — CID 91630381

IUPAC5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccnc(-c2cccs2)c1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C19H14N4O2S/c24-19(16-10-17(25-23-16)14-3-1-6-20-12-14)22-11-13-5-7-21-15(9-13)18-4-2-8-26-18/h1-10,12H,11H2,(H,22,24)
InChIKeyZQSGEIBSDSEACU-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.79
Rot. Bonds5

About 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 91630381) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID91630381
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccnc(-c2cccs2)c1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C19H14N4O2S/c24-19(16-10-17(25-23-16)14-3-1-6-20-12-14)22-11-13-5-7-21-15(9-13)18-4-2-8-26-18/h1-10,12H,11H2,(H,22,24)
InChIKeyZQSGEIBSDSEACU-UHFFFAOYSA-N
XLogP3.79
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (CID 91630381) is 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccnc(-c2cccs2)c1)c1cc(-c2cccnc2)on1.
What is the InChIKey of 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZQSGEIBSDSEACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-19(16-10-17(25-23-16)14-3-1-6-20-12-14)22-11-13-5-7-21-15(9-13)18-4-2-8-26-18/h1-10,12H,11H2,(H,22,24).
What are the key properties of 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91630381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).