(14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

C18H20N4O2 — CID 95147259

IUPAC(14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
SMILESCc1ccc2nc3c(n2c1)[C@H](c1coc(C(C)C)n1)CC(=O)NC3
InChIInChI=1S/C18H20N4O2/c1-10(2)18-21-14(9-24-18)12-6-16(23)19-7-13-17(12)22-8-11(3)4-5-15(22)20-13/h4-5,8-10,12H,6-7H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyUXKUDRDCJRXSIJ-LBPRGKRZSA-N
MW324.38 g/mol
LogP2.91
Rot. Bonds2

About (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one

(14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one (PubChem CID 95147259) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one.

Molecular Properties

Compound Name(14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
PubChem CID95147259
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one
SMILESCc1ccc2nc3c(n2c1)[C@H](c1coc(C(C)C)n1)CC(=O)NC3
InChIInChI=1S/C18H20N4O2/c1-10(2)18-21-14(9-24-18)12-6-16(23)19-7-13-17(12)22-8-11(3)4-5-15(22)20-13/h4-5,8-10,12H,6-7H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyUXKUDRDCJRXSIJ-LBPRGKRZSA-N
XLogP2.91
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-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 (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The IUPAC name of (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one (CID 95147259) is (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one.
What is the SMILES notation for (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The canonical SMILES for (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one is Cc1ccc2nc3c(n2c1)[C@H](c1coc(C(C)C)n1)CC(=O)NC3.
What is the InChIKey of (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
The InChIKey is UXKUDRDCJRXSIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10(2)18-21-14(9-24-18)12-6-16(23)19-7-13-17(12)22-8-11(3)4-5-15(22)20-13/h4-5,8-10,12H,6-7H2,1-3H3,(H,19,23)/t12-/m0/s1.
What are the key properties of (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one?
(14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one has a molecular weight of 324.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-4-methyl-14-(2-propan-2-yl-1,3-oxazol-4-yl)-2,8,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-12-one is sourced from PubChem (CID 95147259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).