5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol

C20H25NO3 — CID 136914013

IUPAC5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol
SMILESCc1cc(-c2ccc(C3=C(C(C)(C)C)C(C)(C)CO3)cc2O)no1
InChIInChI=1S/C20H25NO3/c1-12-9-15(21-24-12)14-8-7-13(10-16(14)22)17-18(19(2,3)4)20(5,6)11-23-17/h7-10,22H,11H2,1-6H3
InChIKeyFTBFCDKDBWZKQT-UHFFFAOYSA-N
MW327.42 g/mol
LogP5.17
Rot. Bonds2

About 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol

5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol (PubChem CID 136914013) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol.

Molecular Properties

Compound Name5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol
PubChem CID136914013
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol
SMILESCc1cc(-c2ccc(C3=C(C(C)(C)C)C(C)(C)CO3)cc2O)no1
InChIInChI=1S/C20H25NO3/c1-12-9-15(21-24-12)14-8-7-13(10-16(14)22)17-18(19(2,3)4)20(5,6)11-23-17/h7-10,22H,11H2,1-6H3
InChIKeyFTBFCDKDBWZKQT-UHFFFAOYSA-N
XLogP5.17
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol?
The IUPAC name of 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol (CID 136914013) is 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol.
What is the SMILES notation for 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol?
The canonical SMILES for 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol is Cc1cc(-c2ccc(C3=C(C(C)(C)C)C(C)(C)CO3)cc2O)no1.
What is the InChIKey of 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol?
The InChIKey is FTBFCDKDBWZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-12-9-15(21-24-12)14-8-7-13(10-16(14)22)17-18(19(2,3)4)20(5,6)11-23-17/h7-10,22H,11H2,1-6H3.
What are the key properties of 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol?
5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol has a molecular weight of 327.42 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol is sourced from PubChem (CID 136914013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).