3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one

C37H32N4O3 — CID 90401012

IUPAC3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOC3=O)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H32N4O3/c1-26(2)44-31-18-19-33-32(25-31)35(27-20-21-38-34(24-27)40-22-23-43-36(40)42)39-41(33)37(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21,24-26H,22-23H2,1-2H3
InChIKeyDSYMTUBVGWJMCD-UHFFFAOYSA-N
MW580.69 g/mol
LogP7.68
Rot. Bonds8

About 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one

3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 90401012) has the molecular formula C37H32N4O3 and a molecular weight of 580.69 g/mol. Its IUPAC name is 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID90401012
Molecular FormulaC37H32N4O3
Molecular Weight580.69 g/mol
Exact Mass580.25
IUPAC Name3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOC3=O)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H32N4O3/c1-26(2)44-31-18-19-33-32(25-31)35(27-20-21-38-34(24-27)40-22-23-43-36(40)42)39-41(33)37(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21,24-26H,22-23H2,1-2H3
InChIKeyDSYMTUBVGWJMCD-UHFFFAOYSA-N
XLogP7.68
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 90401012) is 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one is CC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOC3=O)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is DSYMTUBVGWJMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O3/c1-26(2)44-31-18-19-33-32(25-31)35(27-20-21-38-34(24-27)40-22-23-43-36(40)42)39-41(33)37(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21,24-26H,22-23H2,1-2H3.
What are the key properties of 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 580.69 g/mol, XLogP of 7.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90401012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).