8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene

C21H21N3O2 — CID 23730401

IUPAC8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
SMILESCc1nc2c3c(c(C4=NCCO4)cn2c1C)CCC(c1ccccc1)O3
InChIInChI=1S/C21H21N3O2/c1-13-14(2)24-12-17(21-22-10-11-25-21)16-8-9-18(15-6-4-3-5-7-15)26-19(16)20(24)23-13/h3-7,12,18H,8-11H2,1-2H3
InChIKeyFHUKUZLISTZZHW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.79
Rot. Bonds2

About 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene

8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene (PubChem CID 23730401) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene.

Molecular Properties

Compound Name8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
PubChem CID23730401
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
SMILESCc1nc2c3c(c(C4=NCCO4)cn2c1C)CCC(c1ccccc1)O3
InChIInChI=1S/C21H21N3O2/c1-13-14(2)24-12-17(21-22-10-11-25-21)16-8-9-18(15-6-4-3-5-7-15)26-19(16)20(24)23-13/h3-7,12,18H,8-11H2,1-2H3
InChIKeyFHUKUZLISTZZHW-UHFFFAOYSA-N
XLogP3.79
TPSA48.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The IUPAC name of 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene (CID 23730401) is 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene.
What is the SMILES notation for 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The canonical SMILES for 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene is Cc1nc2c3c(c(C4=NCCO4)cn2c1C)CCC(c1ccccc1)O3.
What is the InChIKey of 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
The InChIKey is FHUKUZLISTZZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-14(2)24-12-17(21-22-10-11-25-21)16-8-9-18(15-6-4-3-5-7-15)26-19(16)20(24)23-13/h3-7,12,18H,8-11H2,1-2H3.
What are the key properties of 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene?
8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene has a molecular weight of 347.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,5-dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene is sourced from PubChem (CID 23730401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).