1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol

C17H18N2O2 — CID 78916549

IUPAC1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
SMILESCc1noc(C)c1CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C17H18N2O2/c1-11-15(12(2)21-19-11)9-18-10-16-14-6-4-3-5-13(14)7-8-17(16)20/h3-8,18,20H,9-10H2,1-2H3
InChIKeyMPPQKJOWRLMUCT-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.44
Rot. Bonds4

About 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol

1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol (PubChem CID 78916549) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
PubChem CID78916549
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
SMILESCc1noc(C)c1CNCc1c(O)ccc2ccccc12
InChIInChI=1S/C17H18N2O2/c1-11-15(12(2)21-19-11)9-18-10-16-14-6-4-3-5-13(14)7-8-17(16)20/h3-8,18,20H,9-10H2,1-2H3
InChIKeyMPPQKJOWRLMUCT-UHFFFAOYSA-N
XLogP3.44
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.44
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-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol (CID 78916549) is 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol is Cc1noc(C)c1CNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol?
The InChIKey is MPPQKJOWRLMUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-15(12(2)21-19-11)9-18-10-16-14-6-4-3-5-13(14)7-8-17(16)20/h3-8,18,20H,9-10H2,1-2H3.
What are the key properties of 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol?
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol has a molecular weight of 282.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 78916549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).