4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine

C26H18N8O3S — CID 141080071

IUPAC4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine
SMILESc1ccc(C2(c3ccco3)C(c3cccs3)ON(c3ccnnn3)C2(c2ncccn2)c2ncco2)nc1
InChIInChI=1S/C26H18N8O3S/c1-2-10-27-19(7-1)25(20-8-3-15-35-20)22(18-6-4-17-38-18)37-34(21-9-13-31-33-32-21)26(25,24-30-14-16-36-24)23-28-11-5-12-29-23/h1-17,22H
InChIKeyFFQJQRNOBRHHKF-UHFFFAOYSA-N
MW522.55 g/mol
LogP4.12
Rot. Bonds6

About 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine

4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine (PubChem CID 141080071) has the molecular formula C26H18N8O3S and a molecular weight of 522.55 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine
PubChem CID141080071
Molecular FormulaC26H18N8O3S
Molecular Weight522.55 g/mol
Exact Mass522.12
IUPAC Name4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine
SMILESc1ccc(C2(c3ccco3)C(c3cccs3)ON(c3ccnnn3)C2(c2ncccn2)c2ncco2)nc1
InChIInChI=1S/C26H18N8O3S/c1-2-10-27-19(7-1)25(20-8-3-15-35-20)22(18-6-4-17-38-18)37-34(21-9-13-31-33-32-21)26(25,24-30-14-16-36-24)23-28-11-5-12-29-23/h1-17,22H
InChIKeyFFQJQRNOBRHHKF-UHFFFAOYSA-N
XLogP4.12
TPSA128.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.55
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine?
The IUPAC name of 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine (CID 141080071) is 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine.
What is the SMILES notation for 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine?
The canonical SMILES for 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine is c1ccc(C2(c3ccco3)C(c3cccs3)ON(c3ccnnn3)C2(c2ncccn2)c2ncco2)nc1.
What is the InChIKey of 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine?
The InChIKey is FFQJQRNOBRHHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N8O3S/c1-2-10-27-19(7-1)25(20-8-3-15-35-20)22(18-6-4-17-38-18)37-34(21-9-13-31-33-32-21)26(25,24-30-14-16-36-24)23-28-11-5-12-29-23/h1-17,22H.
What are the key properties of 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine?
4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine has a molecular weight of 522.55 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-5-thiophen-2-yl-2-(triazin-4-yl)-1,2-oxazolidine is sourced from PubChem (CID 141080071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).