2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine

C24H18N8O2S2 — CID 141073200

IUPAC2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine
SMILESc1cnc(C2(c3ncc[nH]3)C(c3ccn[nH]3)ON(c3ccco3)C2(c2ccsn2)c2cccs2)nc1
InChIInChI=1S/C24H18N8O2S2/c1-5-19(33-13-1)32-24(17-7-15-36-31-17,18-4-2-14-35-18)23(22-27-11-12-28-22,21-25-8-3-9-26-21)20(34-32)16-6-10-29-30-16/h1-15,20H,(H,27,28)(H,29,30)
InChIKeyQCTINJZEINCLTM-UHFFFAOYSA-N
MW514.60 g/mol
LogP4.46
Rot. Bonds6

About 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine

2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141073200) has the molecular formula C24H18N8O2S2 and a molecular weight of 514.60 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine
PubChem CID141073200
Molecular FormulaC24H18N8O2S2
Molecular Weight514.60 g/mol
Exact Mass514.10
IUPAC Name2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine
SMILESc1cnc(C2(c3ncc[nH]3)C(c3ccn[nH]3)ON(c3ccco3)C2(c2ccsn2)c2cccs2)nc1
InChIInChI=1S/C24H18N8O2S2/c1-5-19(33-13-1)32-24(17-7-15-36-31-17,18-4-2-14-35-18)23(22-27-11-12-28-22,21-25-8-3-9-26-21)20(34-32)16-6-10-29-30-16/h1-15,20H,(H,27,28)(H,29,30)
InChIKeyQCTINJZEINCLTM-UHFFFAOYSA-N
XLogP4.46
TPSA121.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.60
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine?
The IUPAC name of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine (CID 141073200) is 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine.
What is the SMILES notation for 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine?
The canonical SMILES for 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine is c1cnc(C2(c3ncc[nH]3)C(c3ccn[nH]3)ON(c3ccco3)C2(c2ccsn2)c2cccs2)nc1.
What is the InChIKey of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine?
The InChIKey is QCTINJZEINCLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8O2S2/c1-5-19(33-13-1)32-24(17-7-15-36-31-17,18-4-2-14-35-18)23(22-27-11-12-28-22,21-25-8-3-9-26-21)20(34-32)16-6-10-29-30-16/h1-15,20H,(H,27,28)(H,29,30).
What are the key properties of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine?
2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 514.60 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-3-(1,2-thiazol-3-yl)-3-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141073200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).