(3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone

C19H23N5O3 — CID 98136623

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
SMILESCc1noc(C)c1C(=O)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2
InChIInChI=1S/C19H23N5O3/c1-11-17(12(2)27-22-11)18(25)24-13-3-4-16(24)14-10-20-19(21-15(14)9-13)23-5-7-26-8-6-23/h10,13,16H,3-9H2,1-2H3/t13-,16-/m1/s1
InChIKeyYXWLIIPQFFNQOL-CZUORRHYSA-N
MW369.43 g/mol
LogP1.82
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-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)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone (PubChem CID 98136623) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-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)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
PubChem CID98136623
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
SMILESCc1noc(C)c1C(=O)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2
InChIInChI=1S/C19H23N5O3/c1-11-17(12(2)27-22-11)18(25)24-13-3-4-16(24)14-10-20-19(21-15(14)9-13)23-5-7-26-8-6-23/h10,13,16H,3-9H2,1-2H3/t13-,16-/m1/s1
InChIKeyYXWLIIPQFFNQOL-CZUORRHYSA-N
XLogP1.82
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone
CID 46967523
12-(3,5-Dimethyl-1,2-oxazole-4-carbonyl)-4,6,12-triazatricyclo[7.2.1.0^{2,7}]dodeca-2(7),3,5-triene
CID 91625039
[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone;hydrochloride
CID 118741660
(3,5-Dimethylisoxazol-4-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122258465
3-ethyl-N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 145899855
[2-(4-Cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 59670080
(3,5-Dimethyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone
CID 46961275
(3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9S)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
CID 51598219
(3,5-dimethyl-1,2-oxazol-4-yl)-[(1S,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
CID 51598220
4-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 53542834
7-[(3-Methylisoxazol-5-yl)acetyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70758392
7-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70770330

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-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)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone (CID 98136623) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-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)-[(1R,9R)-5-morpholin-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)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone is Cc1noc(C)c1C(=O)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone?
The InChIKey is YXWLIIPQFFNQOL-CZUORRHYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11-17(12(2)27-22-11)18(25)24-13-3-4-16(24)14-10-20-19(21-15(14)9-13)23-5-7-26-8-6-23/h10,13,16H,3-9H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-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)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone is sourced from PubChem (CID 98136623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).