3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one

C21H22N4O3 — CID 154854891

IUPAC3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(CC(=O)N1c2ccncc2N2CCC1C2)c1ccccc1
InChIInChI=1S/C21H22N4O3/c26-20(25-16-7-9-23(14-16)19-13-22-8-6-17(19)25)12-18(15-4-2-1-3-5-15)24-10-11-28-21(24)27/h1-6,8,13,16,18H,7,9-12,14H2
InChIKeySSNATLKWKWLOEH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.59
Rot. Bonds4

About 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one

3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one (PubChem CID 154854891) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one
PubChem CID154854891
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(CC(=O)N1c2ccncc2N2CCC1C2)c1ccccc1
InChIInChI=1S/C21H22N4O3/c26-20(25-16-7-9-23(14-16)19-13-22-8-6-17(19)25)12-18(15-4-2-1-3-5-15)24-10-11-28-21(24)27/h1-6,8,13,16,18H,7,9-12,14H2
InChIKeySSNATLKWKWLOEH-UHFFFAOYSA-N
XLogP2.59
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one (CID 154854891) is 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(CC(=O)N1c2ccncc2N2CCC1C2)c1ccccc1.
What is the InChIKey of 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one?
The InChIKey is SSNATLKWKWLOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(25-16-7-9-23(14-16)19-13-22-8-6-17(19)25)12-18(15-4-2-1-3-5-15)24-10-11-28-21(24)27/h1-6,8,13,16,18H,7,9-12,14H2.
What are the key properties of 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one?
3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-1-phenyl-3-(1,4,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154854891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).