2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole

C30H21N13O2S2 — CID 141015432

IUPAC2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ncco3)N(c3nn[nH]n3)C(c3nccs3)=C(c3ncc[nH]3)C(c3ccn[nH]3)(c3ccco3)N2c2cccs2)nc1
InChIInChI=1S/C30H21N13O2S2/c1-2-9-31-20(5-1)30(27-35-13-16-45-27)42(28-38-40-41-39-28)24(26-34-14-18-47-26)23(25-32-11-12-33-25)29(19-8-10-36-37-19,21-6-3-15-44-21)43(30)22-7-4-17-46-22/h1-18H,(H,32,33)(H,36,37)(H,38,39,40,41)
InChIKeyKITYIPJHELFZGX-UHFFFAOYSA-N
MW659.72 g/mol
LogP4.88
Rot. Bonds8

About 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole

2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole (PubChem CID 141015432) has the molecular formula C30H21N13O2S2 and a molecular weight of 659.72 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole
PubChem CID141015432
Molecular FormulaC30H21N13O2S2
Molecular Weight659.72 g/mol
Exact Mass659.14
IUPAC Name2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ncco3)N(c3nn[nH]n3)C(c3nccs3)=C(c3ncc[nH]3)C(c3ccn[nH]3)(c3ccco3)N2c2cccs2)nc1
InChIInChI=1S/C30H21N13O2S2/c1-2-9-31-20(5-1)30(27-35-13-16-45-27)42(28-38-40-41-39-28)24(26-34-14-18-47-26)23(25-32-11-12-33-25)29(19-8-10-36-37-19,21-6-3-15-44-21)43(30)22-7-4-17-46-22/h1-18H,(H,32,33)(H,36,37)(H,38,39,40,41)
InChIKeyKITYIPJHELFZGX-UHFFFAOYSA-N
XLogP4.88
TPSA183.25 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.72
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole (CID 141015432) is 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole is c1ccc(C2(c3ncco3)N(c3nn[nH]n3)C(c3nccs3)=C(c3ncc[nH]3)C(c3ccn[nH]3)(c3ccco3)N2c2cccs2)nc1.
What is the InChIKey of 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole?
The InChIKey is KITYIPJHELFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N13O2S2/c1-2-9-31-20(5-1)30(27-35-13-16-45-27)42(28-38-40-41-39-28)24(26-34-14-18-47-26)23(25-32-11-12-33-25)29(19-8-10-36-37-19,21-6-3-15-44-21)43(30)22-7-4-17-46-22/h1-18H,(H,32,33)(H,36,37)(H,38,39,40,41).
What are the key properties of 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole?
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole has a molecular weight of 659.72 g/mol, XLogP of 4.88, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141015432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).