N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H10N6O2S — CID 71805376

IUPACN-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(-n2cccn2)ncn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H10N6O2S/c22-15(10-7-11(23-20-10)12-3-1-6-24-12)19-13-8-14(17-9-16-13)21-5-2-4-18-21/h1-9H,(H,16,17,19,22)
InChIKeyNKRSOGNTHDDUGK-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.63
Rot. Bonds4

About N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 71805376) has the molecular formula C15H10N6O2S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID71805376
Molecular FormulaC15H10N6O2S
Molecular Weight338.35 g/mol
Exact Mass338.06
IUPAC NameN-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(-n2cccn2)ncn1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H10N6O2S/c22-15(10-7-11(23-20-10)12-3-1-6-24-12)19-13-8-14(17-9-16-13)21-5-2-4-18-21/h1-9H,(H,16,17,19,22)
InChIKeyNKRSOGNTHDDUGK-UHFFFAOYSA-N
XLogP2.63
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 71805376) is N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cc(-n2cccn2)ncn1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NKRSOGNTHDDUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2S/c22-15(10-7-11(23-20-10)12-3-1-6-24-12)19-13-8-14(17-9-16-13)21-5-2-4-18-21/h1-9H,(H,16,17,19,22).
What are the key properties of N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrazol-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71805376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).