4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole

C24H26N2O2 — CID 169050055

IUPAC4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole
SMILESCC(C)(C)c1ccc2c(-c3cocn3)c(C(C)(C)C)ccc2c1-c1cocn1
InChIInChI=1S/C24H26N2O2/c1-23(2,3)17-9-7-16-15(21(17)19-11-27-13-25-19)8-10-18(24(4,5)6)22(16)20-12-28-14-26-20/h7-14H,1-6H3
InChIKeyDUAUQGPOSYLASC-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.74
Rot. Bonds2

About 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole

4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole (PubChem CID 169050055) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole
PubChem CID169050055
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole
SMILESCC(C)(C)c1ccc2c(-c3cocn3)c(C(C)(C)C)ccc2c1-c1cocn1
InChIInChI=1S/C24H26N2O2/c1-23(2,3)17-9-7-16-15(21(17)19-11-27-13-25-19)8-10-18(24(4,5)6)22(16)20-12-28-14-26-20/h7-14H,1-6H3
InChIKeyDUAUQGPOSYLASC-UHFFFAOYSA-N
XLogP6.74
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole?
The IUPAC name of 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole (CID 169050055) is 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole.
What is the SMILES notation for 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole?
The canonical SMILES for 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole is CC(C)(C)c1ccc2c(-c3cocn3)c(C(C)(C)C)ccc2c1-c1cocn1.
What is the InChIKey of 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole?
The InChIKey is DUAUQGPOSYLASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-23(2,3)17-9-7-16-15(21(17)19-11-27-13-25-19)8-10-18(24(4,5)6)22(16)20-12-28-14-26-20/h7-14H,1-6H3.
What are the key properties of 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole?
4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole has a molecular weight of 374.48 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-ditert-butyl-5-(1,3-oxazol-4-yl)naphthalen-1-yl]-1,3-oxazole is sourced from PubChem (CID 169050055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).