2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran

C23H27N3O2 — CID 73335975

IUPAC2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran
SMILESCC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)o2)c2ccccc2N=[N+]=[N-])o1
InChIInChI=1S/C23H27N3O2/c1-22(2,3)19-13-11-17(27-19)21(15-9-7-8-10-16(15)25-26-24)18-12-14-20(28-18)23(4,5)6/h7-14,21H,1-6H3
InChIKeyIAACQPXDTYNUNY-UHFFFAOYSA-N
MW377.49 g/mol
LogP7.59
Rot. Bonds4

About 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran

2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran (PubChem CID 73335975) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran.

Molecular Properties

Compound Name2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran
PubChem CID73335975
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran
SMILESCC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)o2)c2ccccc2N=[N+]=[N-])o1
InChIInChI=1S/C23H27N3O2/c1-22(2,3)19-13-11-17(27-19)21(15-9-7-8-10-16(15)25-26-24)18-12-14-20(28-18)23(4,5)6/h7-14,21H,1-6H3
InChIKeyIAACQPXDTYNUNY-UHFFFAOYSA-N
XLogP7.59
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran?
The IUPAC name of 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran (CID 73335975) is 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran.
What is the SMILES notation for 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran?
The canonical SMILES for 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran is CC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)o2)c2ccccc2N=[N+]=[N-])o1.
What is the InChIKey of 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran?
The InChIKey is IAACQPXDTYNUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-22(2,3)19-13-11-17(27-19)21(15-9-7-8-10-16(15)25-26-24)18-12-14-20(28-18)23(4,5)6/h7-14,21H,1-6H3.
What are the key properties of 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran?
2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran has a molecular weight of 377.49 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran is sourced from PubChem (CID 73335975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).