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

C19H14N4O2S — CID 91625683

IUPAC5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C19H14N4O2S/c24-19(17-9-18(25-23-17)14-2-1-5-20-11-14)22-10-13-3-6-21-16(8-13)15-4-7-26-12-15/h1-9,11-12H,10H2,(H,22,24)
InChIKeyVXZHAQUGXBVQMW-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.79
Rot. Bonds5

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

5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 91625683) 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-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID91625683
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C19H14N4O2S/c24-19(17-9-18(25-23-17)14-2-1-5-20-11-14)22-10-13-3-6-21-16(8-13)15-4-7-26-12-15/h1-9,11-12H,10H2,(H,22,24)
InChIKeyVXZHAQUGXBVQMW-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-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (CID 91625683) is 5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2cccnc2)on1.
What is the InChIKey of 5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VXZHAQUGXBVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-19(17-9-18(25-23-17)14-2-1-5-20-11-14)22-10-13-3-6-21-16(8-13)15-4-7-26-12-15/h1-9,11-12H,10H2,(H,22,24).
What are the key properties of 5-pyridin-3-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
5-pyridin-3-yl-N-[(2-thiophen-3-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-3-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91625683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).