5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole

C21H20N6O2 — CID 18413914

IUPAC5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole
SMILESCc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3C2)n1
InChIInChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3
InChIKeyUIEAPAOHCIQRQL-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.73
Rot. Bonds4

About 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole

5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole (PubChem CID 18413914) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole
PubChem CID18413914
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole
SMILESCc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3C2)n1
InChIInChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3
InChIKeyUIEAPAOHCIQRQL-UHFFFAOYSA-N
XLogP3.73
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole with MolForge

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Related Compounds

3-(5-Methylisoxazol-3-yl)-6-((1-methyl-1,2,3-triazol-4-yl)methyloxy)-1,2,4-triazolo(3,4-a)phthalazine
CID 6918451
5-Methyl-3-(6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)isoxazole
CID 9885130
3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11372179
3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]triazol-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 18621180
3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine
CID 11233780
5-Methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole
CID 11003941
3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]triazol-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
CID 11268445
6-(Furan-3-yl)-9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11452020
5-Methyl-3-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole
CID 18413916
4-Methyl-3-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]-1,2-oxazole
CID 44388432
{6-[3-(5-Methyl-isoxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yloxymethyl]-pyridin-2-ylmethyl}-phenethyl-amine
CID 44461091
5-Methyl-3-[(6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl)oxymethyl]-1,2-oxazole
CID 11222937

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole (CID 18413914) is 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole is Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3c2C2CCC3C2)n1.
What is the InChIKey of 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole?
The InChIKey is UIEAPAOHCIQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3.
What are the key properties of 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole?
5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole has a molecular weight of 388.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[9-[(6-methyl-2-pyridinyl)methoxy]-4,5,7,8-tetrazatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3,5,8-tetraen-6-yl]-1,2-oxazole is sourced from PubChem (CID 18413914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).