8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

C20H20N2O2 — CID 11964262

IUPAC8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1ccc(-c2cnc(Nc3cccc4c3CC(O)CC4)o2)cc1
InChIInChI=1S/C20H20N2O2/c1-13-5-7-15(8-6-13)19-12-21-20(24-19)22-18-4-2-3-14-9-10-16(23)11-17(14)18/h2-8,12,16,23H,9-11H2,1H3,(H,21,22)
InChIKeyDODZUEVJDJBDJW-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.24
Rot. Bonds3

About 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 11964262) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID11964262
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1ccc(-c2cnc(Nc3cccc4c3CC(O)CC4)o2)cc1
InChIInChI=1S/C20H20N2O2/c1-13-5-7-15(8-6-13)19-12-21-20(24-19)22-18-4-2-3-14-9-10-16(23)11-17(14)18/h2-8,12,16,23H,9-11H2,1H3,(H,21,22)
InChIKeyDODZUEVJDJBDJW-UHFFFAOYSA-N
XLogP4.24
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 11964262) is 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is Cc1ccc(-c2cnc(Nc3cccc4c3CC(O)CC4)o2)cc1.
What is the InChIKey of 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is DODZUEVJDJBDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-5-7-15(8-6-13)19-12-21-20(24-19)22-18-4-2-3-14-9-10-16(23)11-17(14)18/h2-8,12,16,23H,9-11H2,1H3,(H,21,22).
What are the key properties of 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 320.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 11964262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).