4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one

C20H19N5O3 — CID 58406326

IUPAC4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
SMILESCc1ccc(C23Cn4cccc4C(=O)N2CCN3C(=O)c2conc2C)cn1
InChIInChI=1S/C20H19N5O3/c1-13-5-6-15(10-21-13)20-12-23-7-3-4-17(23)19(27)25(20)9-8-24(20)18(26)16-11-28-22-14(16)2/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyKUDXTBCRESIJFH-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.95
Rot. Bonds2

About 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one

4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one (PubChem CID 58406326) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
PubChem CID58406326
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
SMILESCc1ccc(C23Cn4cccc4C(=O)N2CCN3C(=O)c2conc2C)cn1
InChIInChI=1S/C20H19N5O3/c1-13-5-6-15(10-21-13)20-12-23-7-3-4-17(23)19(27)25(20)9-8-24(20)18(26)16-11-28-22-14(16)2/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyKUDXTBCRESIJFH-UHFFFAOYSA-N
XLogP1.95
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one?
The IUPAC name of 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one (CID 58406326) is 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one.
What is the SMILES notation for 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one?
The canonical SMILES for 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one is Cc1ccc(C23Cn4cccc4C(=O)N2CCN3C(=O)c2conc2C)cn1.
What is the InChIKey of 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one?
The InChIKey is KUDXTBCRESIJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13-5-6-15(10-21-13)20-12-23-7-3-4-17(23)19(27)25(20)9-8-24(20)18(26)16-11-28-22-14(16)2/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one?
4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one has a molecular weight of 377.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazole-4-carbonyl)-3-(6-methyl-3-pyridinyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one is sourced from PubChem (CID 58406326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).