5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

C18H20N4O3 — CID 3237786

IUPAC5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)n(C)c3nc12
InChIInChI=1S/C18H20N4O3/c1-11-6-5-7-21-14(11)19-15-12(16(21)23)8-13(20(15)4)17(24)22-10-25-9-18(22,2)3/h5-8H,9-10H2,1-4H3
InChIKeyKEHNVKVZWAGAMX-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.70
Rot. Bonds1

About 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (PubChem CID 3237786) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.

Molecular Properties

Compound Name5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
PubChem CID3237786
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)n(C)c3nc12
InChIInChI=1S/C18H20N4O3/c1-11-6-5-7-21-14(11)19-15-12(16(21)23)8-13(20(15)4)17(24)22-10-25-9-18(22,2)3/h5-8H,9-10H2,1-4H3
InChIKeyKEHNVKVZWAGAMX-UHFFFAOYSA-N
XLogP1.70
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The IUPAC name of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (CID 3237786) is 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.
What is the SMILES notation for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The canonical SMILES for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is Cc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)n(C)c3nc12.
What is the InChIKey of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The InChIKey is KEHNVKVZWAGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-6-5-7-21-14(11)19-15-12(16(21)23)8-13(20(15)4)17(24)22-10-25-9-18(22,2)3/h5-8H,9-10H2,1-4H3.
What are the key properties of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one has a molecular weight of 340.38 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is sourced from PubChem (CID 3237786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).