(5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one

C15H19N5O2 — CID 155348669

IUPAC(5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
SMILESC[C@@H]1Cc2nn3c(c2CN1)C(=O)N(C)C[C@@H](c1ccno1)C3
InChIInChI=1S/C15H19N5O2/c1-9-5-12-11(6-16-9)14-15(21)19(2)7-10(8-20(14)18-12)13-3-4-17-22-13/h3-4,9-10,16H,5-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyZHFVGWJCQUAILY-NXEZZACHSA-N
MW301.35 g/mol
LogP0.77
Rot. Bonds1

About (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one

(5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one (PubChem CID 155348669) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one.

Molecular Properties

Compound Name(5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
PubChem CID155348669
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
SMILESC[C@@H]1Cc2nn3c(c2CN1)C(=O)N(C)C[C@@H](c1ccno1)C3
InChIInChI=1S/C15H19N5O2/c1-9-5-12-11(6-16-9)14-15(21)19(2)7-10(8-20(14)18-12)13-3-4-17-22-13/h3-4,9-10,16H,5-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyZHFVGWJCQUAILY-NXEZZACHSA-N
XLogP0.77
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one with MolForge

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Related Compounds

(5R,11S)-5,13-dimethyl-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155342729
11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 175829008
(11R)-11-methyl-4-sulfanyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 167100484
(11R)-4-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-(hydroxymethyl)-11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 167098572
(5R,12S)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-12-ol
CID 155352886
(5R,12R)-14-fluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-trien-12-ol
CID 155352762
(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-ol
CID 165381881
7-methyl-8a,9-dihydro-8H-pyrrolo[3,4-g]quinolin-6-one
CID 129065584
3-[(4-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137366393
2-[(5R,11R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]propan-2-ol
CID 155359463
[(5R)-14,14-difluoro-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-11-yl]methanol
CID 155359559
N-(3-cyano-4-fluorophenyl)-13-methyl-14-oxo-11-(1H-pyrazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 163201635

Frequently Asked Questions

What is the IUPAC name of (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The IUPAC name of (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one (CID 155348669) is (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one.
What is the SMILES notation for (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The canonical SMILES for (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one is C[C@@H]1Cc2nn3c(c2CN1)C(=O)N(C)C[C@@H](c1ccno1)C3.
What is the InChIKey of (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
The InChIKey is ZHFVGWJCQUAILY-NXEZZACHSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-5-12-11(6-16-9)14-15(21)19(2)7-10(8-20(14)18-12)13-3-4-17-22-13/h3-4,9-10,16H,5-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one?
(5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one has a molecular weight of 301.35 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,11R)-5,13-dimethyl-11-(1,2-oxazol-5-yl)-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one is sourced from PubChem (CID 155348669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).