1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol

C24H15FN2O2 — CID 1079470

IUPAC1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C24H15FN2O2/c25-20-8-4-3-7-18(20)24-27-21-13-16(10-12-23(21)29-24)26-14-19-17-6-2-1-5-15(17)9-11-22(19)28/h1-14,28H/b26-14+
InChIKeySPNPHQCAGHWSBO-VULFUBBASA-N
MW382.39 g/mol
LogP6.24
Rot. Bonds3

About 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol

1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol (PubChem CID 1079470) has the molecular formula C24H15FN2O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol
PubChem CID1079470
Molecular FormulaC24H15FN2O2
Molecular Weight382.39 g/mol
Exact Mass382.11
IUPAC Name1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1
InChIInChI=1S/C24H15FN2O2/c25-20-8-4-3-7-18(20)24-27-21-13-16(10-12-23(21)29-24)26-14-19-17-6-2-1-5-15(17)9-11-22(19)28/h1-14,28H/b26-14+
InChIKeySPNPHQCAGHWSBO-VULFUBBASA-N
XLogP6.24
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol (CID 1079470) is 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol?
The InChIKey is SPNPHQCAGHWSBO-VULFUBBASA-N. The full InChI is InChI=1S/C24H15FN2O2/c25-20-8-4-3-7-18(20)24-27-21-13-16(10-12-23(21)29-24)26-14-19-17-6-2-1-5-15(17)9-11-22(19)28/h1-14,28H/b26-14+.
What are the key properties of 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol?
1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol has a molecular weight of 382.39 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 1079470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).