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

C28H18N2O2 — CID 4576177

IUPAC1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C28H18N2O2/c31-26-14-12-19-7-2-4-10-22(19)24(26)17-29-20-13-15-27-25(16-20)30-28(32-27)23-11-5-8-18-6-1-3-9-21(18)23/h1-17,31H/b29-17+
InChIKeyRLVLDGOPPVRHNF-STBIYBPSSA-N
MW414.46 g/mol
LogP7.26
Rot. Bonds3

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

1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol (PubChem CID 4576177) has the molecular formula C28H18N2O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol
PubChem CID4576177
Molecular FormulaC28H18N2O2
Molecular Weight414.46 g/mol
Exact Mass414.14
IUPAC Name1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccc4ccccc34)nc2c1
InChIInChI=1S/C28H18N2O2/c31-26-14-12-19-7-2-4-10-22(19)24(26)17-29-20-13-15-27-25(16-20)30-28(32-27)23-11-5-8-18-6-1-3-9-21(18)23/h1-17,31H/b29-17+
InChIKeyRLVLDGOPPVRHNF-STBIYBPSSA-N
XLogP7.26
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 57.26
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-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol (CID 4576177) is 1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccc4ccccc34)nc2c1.
What is the InChIKey of 1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is RLVLDGOPPVRHNF-STBIYBPSSA-N. The full InChI is InChI=1S/C28H18N2O2/c31-26-14-12-19-7-2-4-10-22(19)24(26)17-29-20-13-15-27-25(16-20)30-28(32-27)23-11-5-8-18-6-1-3-9-21(18)23/h1-17,31H/b29-17+.
What are the key properties of 1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol?
1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 414.46 g/mol, XLogP of 7.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 4576177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).