(5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone

C15H15N5O2 — CID 86265288

IUPAC(5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
SMILESCc1cc2ncc3c(n2n1)CCN(C(=O)c1cnoc1C)C3
InChIInChI=1S/C15H15N5O2/c1-9-5-14-16-6-11-8-19(4-3-13(11)20(14)18-9)15(21)12-7-17-22-10(12)2/h5-7H,3-4,8H2,1-2H3
InChIKeyOVZNYLWWCCRGDD-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.53
Rot. Bonds1

About (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone

(5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone (PubChem CID 86265288) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
PubChem CID86265288
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
SMILESCc1cc2ncc3c(n2n1)CCN(C(=O)c1cnoc1C)C3
InChIInChI=1S/C15H15N5O2/c1-9-5-14-16-6-11-8-19(4-3-13(11)20(14)18-9)15(21)12-7-17-22-10(12)2/h5-7H,3-4,8H2,1-2H3
InChIKeyOVZNYLWWCCRGDD-UHFFFAOYSA-N
XLogP1.53
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone (CID 86265288) is (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone is Cc1cc2ncc3c(n2n1)CCN(C(=O)c1cnoc1C)C3.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone?
The InChIKey is OVZNYLWWCCRGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-5-14-16-6-11-8-19(4-3-13(11)20(14)18-9)15(21)12-7-17-22-10(12)2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone?
(5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone has a molecular weight of 297.32 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone is sourced from PubChem (CID 86265288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).