4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole

C21H23NO — CID 1230144

IUPAC4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1
InChIInChI=1S/C21H23NO/c1-21(2)14-23-20(22-21)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13H,7-9,11,14H2,1-2H3
InChIKeyNDPHTBMZCFBLNR-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.13
Rot. Bonds1

About 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole

4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole (PubChem CID 1230144) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole
PubChem CID1230144
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1
InChIInChI=1S/C21H23NO/c1-21(2)14-23-20(22-21)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13H,7-9,11,14H2,1-2H3
InChIKeyNDPHTBMZCFBLNR-UHFFFAOYSA-N
XLogP4.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole (CID 1230144) is 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole is CC1(C)COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1.
What is the InChIKey of 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole?
The InChIKey is NDPHTBMZCFBLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-21(2)14-23-20(22-21)19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13H,7-9,11,14H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole has a molecular weight of 305.42 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-5H-1,3-oxazole is sourced from PubChem (CID 1230144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).