2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole

C20H23NO — CID 101380889

IUPAC2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole
SMILESCC(C)(C)C1=CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C20H23NO/c1-20(2,3)19-14-18(17-12-8-5-9-13-17)21(22-19)15-16-10-6-4-7-11-16/h4-14,18H,15H2,1-3H3
InChIKeyBTTWEDWTMNDKPW-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.11
Rot. Bonds3

About 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole

2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole (PubChem CID 101380889) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole
PubChem CID101380889
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole
SMILESCC(C)(C)C1=CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C20H23NO/c1-20(2,3)19-14-18(17-12-8-5-9-13-17)21(22-19)15-16-10-6-4-7-11-16/h4-14,18H,15H2,1-3H3
InChIKeyBTTWEDWTMNDKPW-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole?
The IUPAC name of 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole (CID 101380889) is 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole?
The canonical SMILES for 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole is CC(C)(C)C1=CC(c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole?
The InChIKey is BTTWEDWTMNDKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-20(2,3)19-14-18(17-12-8-5-9-13-17)21(22-19)15-16-10-6-4-7-11-16/h4-14,18H,15H2,1-3H3.
What are the key properties of 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole?
2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole has a molecular weight of 293.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-tert-butyl-3-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 101380889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).