(3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone

C15H16N4O2 — CID 91625039

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone
SMILESCc1noc(C)c1C(=O)N1C2CCC1c1cncnc1C2
InChIInChI=1S/C15H16N4O2/c1-8-14(9(2)21-18-8)15(20)19-10-3-4-13(19)11-6-16-7-17-12(11)5-10/h6-7,10,13H,3-5H2,1-2H3
InChIKeyZIWMILZLHBFOAO-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.98
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone (PubChem CID 91625039) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone
PubChem CID91625039
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone
SMILESCc1noc(C)c1C(=O)N1C2CCC1c1cncnc1C2
InChIInChI=1S/C15H16N4O2/c1-8-14(9(2)21-18-8)15(20)19-10-3-4-13(19)11-6-16-7-17-12(11)5-10/h6-7,10,13H,3-5H2,1-2H3
InChIKeyZIWMILZLHBFOAO-UHFFFAOYSA-N
XLogP1.98
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone (CID 91625039) is (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone is Cc1noc(C)c1C(=O)N1C2CCC1c1cncnc1C2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone?
The InChIKey is ZIWMILZLHBFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-8-14(9(2)21-18-8)15(20)19-10-3-4-13(19)11-6-16-7-17-12(11)5-10/h6-7,10,13H,3-5H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone is sourced from PubChem (CID 91625039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).