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

C24H26N2O2 — CID 169050079

IUPAC2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole
SMILESCC(C)(C)c1ccc2c(-c3ncco3)c(C(C)(C)C)ccc2c1-c1ncco1
InChIInChI=1S/C24H26N2O2/c1-23(2,3)17-9-7-16-15(19(17)21-25-11-13-27-21)8-10-18(24(4,5)6)20(16)22-26-12-14-28-22/h7-14H,1-6H3
InChIKeyRFVNKCLKCSEGKK-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.74
Rot. Bonds2

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

2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole (PubChem CID 169050079) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole
PubChem CID169050079
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole
SMILESCC(C)(C)c1ccc2c(-c3ncco3)c(C(C)(C)C)ccc2c1-c1ncco1
InChIInChI=1S/C24H26N2O2/c1-23(2,3)17-9-7-16-15(19(17)21-25-11-13-27-21)8-10-18(24(4,5)6)20(16)22-26-12-14-28-22/h7-14H,1-6H3
InChIKeyRFVNKCLKCSEGKK-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 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole?
The IUPAC name of 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole (CID 169050079) is 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole is CC(C)(C)c1ccc2c(-c3ncco3)c(C(C)(C)C)ccc2c1-c1ncco1.
What is the InChIKey of 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole?
The InChIKey is RFVNKCLKCSEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-23(2,3)17-9-7-16-15(19(17)21-25-11-13-27-21)8-10-18(24(4,5)6)20(16)22-26-12-14-28-22/h7-14H,1-6H3.
What are the key properties of 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole?
2-[2,6-ditert-butyl-5-(1,3-oxazol-2-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 2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole is sourced from PubChem (CID 169050079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).