5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole

C18H13N3OS2 — CID 21928882

IUPAC5-[6,6-di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
SMILESC1C2=C(C=CC1(C3=CSC=C3)C4=CSC=C4)C(=NN2)C5=CN=CO5
InChIInChI=1S/C18H13N3OS2/c1-4-18(12-2-5-23-9-12,13-3-6-24-10-13)7-15-14(1)17(21-20-15)16-8-19-11-22-16/h1-6,8-11H,7H2,(H,20,21)
InChIKeyBUUJEGVLDNXBTG-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.90
Rot. Bonds3

About 5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole

5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole (PubChem CID 21928882) has the molecular formula C18H13N3OS2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 5-[6,6-di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
PubChem CID21928882
Molecular FormulaC18H13N3OS2
Molecular Weight351.40 g/mol
Exact Mass351.05
IUPAC Name5-[6,6-di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
SMILESC1C2=C(C=CC1(C3=CSC=C3)C4=CSC=C4)C(=NN2)C5=CN=CO5
InChIInChI=1S/C18H13N3OS2/c1-4-18(12-2-5-23-9-12,13-3-6-24-10-13)7-15-14(1)17(21-20-15)16-8-19-11-22-16/h1-6,8-11H,7H2,(H,20,21)
InChIKeyBUUJEGVLDNXBTG-UHFFFAOYSA-N
XLogP3.90
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity487

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The IUPAC name of 5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole (CID 21928882) is 5-[6,6-di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole is C1C2=C(C=CC1(C3=CSC=C3)C4=CSC=C4)C(=NN2)C5=CN=CO5.
What is the InChIKey of 5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The InChIKey is BUUJEGVLDNXBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS2/c1-4-18(12-2-5-23-9-12,13-3-6-24-10-13)7-15-14(1)17(21-20-15)16-8-19-11-22-16/h1-6,8-11H,7H2,(H,20,21).
What are the key properties of 5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole?
5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole has a molecular weight of 351.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 21928882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).