1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol

C21H18N2O2 — CID 71737151

IUPAC1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol
SMILESCc1ccc(-c2cnco2)cc1NCc1c(O)ccc2ccccc12
InChIInChI=1S/C21H18N2O2/c1-14-6-7-16(21-12-22-13-25-21)10-19(14)23-11-18-17-5-3-2-4-15(17)8-9-20(18)24/h2-10,12-13,23-24H,11H2,1H3
InChIKeyBMRSXGGHJVMMLB-UHFFFAOYSA-N
MW330.39 g/mol
LogP5.12
Rot. Bonds4

About 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol

1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol (PubChem CID 71737151) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol
PubChem CID71737151
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol
SMILESCc1ccc(-c2cnco2)cc1NCc1c(O)ccc2ccccc12
InChIInChI=1S/C21H18N2O2/c1-14-6-7-16(21-12-22-13-25-21)10-19(14)23-11-18-17-5-3-2-4-15(17)8-9-20(18)24/h2-10,12-13,23-24H,11H2,1H3
InChIKeyBMRSXGGHJVMMLB-UHFFFAOYSA-N
XLogP5.12
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol (CID 71737151) is 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol is Cc1ccc(-c2cnco2)cc1NCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol?
The InChIKey is BMRSXGGHJVMMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-6-7-16(21-12-22-13-25-21)10-19(14)23-11-18-17-5-3-2-4-15(17)8-9-20(18)24/h2-10,12-13,23-24H,11H2,1H3.
What are the key properties of 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol?
1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol has a molecular weight of 330.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-5-(1,3-oxazol-5-yl)anilino]methyl]naphthalen-2-ol is sourced from PubChem (CID 71737151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).