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

C22H21N5O2 — CID 11222937

IUPAC5-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
SMILESCc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1
InChIInChI=1S/C22H21N5O2/c1-13-11-17(26-29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3
InChIKeyZBAXMCZMSTVZIP-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.42
Rot. Bonds4

About 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

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 (PubChem CID 11222937) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID11222937
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-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
SMILESCc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1
InChIInChI=1S/C22H21N5O2/c1-13-11-17(26-29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3
InChIKeyZBAXMCZMSTVZIP-UHFFFAOYSA-N
XLogP4.42
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)no1.
What is the InChIKey of 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?
The InChIKey is ZBAXMCZMSTVZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-11-17(26-29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-24-23-20(27(21)25-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 387.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11222937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).