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

C20H18N6O2 — CID 18413916

IUPAC5-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
SMILESCc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4C2)no1
InChIInChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyLKBAKHFUNDDERC-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.43
Rot. Bonds4

About 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

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 (PubChem CID 18413916) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID18413916
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name5-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
SMILESCc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4C2)no1
InChIInChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3
InChIKeyLKBAKHFUNDDERC-UHFFFAOYSA-N
XLogP3.43
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)C2CCC4C2)no1.
What is the InChIKey of 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?
The InChIKey is LKBAKHFUNDDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 374.40 g/mol, XLogP of 3.43, 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-(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 is sourced from PubChem (CID 18413916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).