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

C23H26N2O2 — CID 11964256

IUPAC8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)c1ccc(-c2cnc(Nc3cccc4c3CC(O)CC4)o2)cc1
InChIInChI=1S/C23H26N2O2/c1-23(2,3)17-10-7-16(8-11-17)21-14-24-22(27-21)25-20-6-4-5-15-9-12-18(26)13-19(15)20/h4-8,10-11,14,18,26H,9,12-13H2,1-3H3,(H,24,25)
InChIKeyXPYZHUCGSARLAB-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.23
Rot. Bonds3

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

8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 11964256) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID11964256
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(C)(C)c1ccc(-c2cnc(Nc3cccc4c3CC(O)CC4)o2)cc1
InChIInChI=1S/C23H26N2O2/c1-23(2,3)17-10-7-16(8-11-17)21-14-24-22(27-21)25-20-6-4-5-15-9-12-18(26)13-19(15)20/h4-8,10-11,14,18,26H,9,12-13H2,1-3H3,(H,24,25)
InChIKeyXPYZHUCGSARLAB-UHFFFAOYSA-N
XLogP5.23
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 11964256) is 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is CC(C)(C)c1ccc(-c2cnc(Nc3cccc4c3CC(O)CC4)o2)cc1.
What is the InChIKey of 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is XPYZHUCGSARLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-23(2,3)17-10-7-16(8-11-17)21-14-24-22(27-21)25-20-6-4-5-15-9-12-18(26)13-19(15)20/h4-8,10-11,14,18,26H,9,12-13H2,1-3H3,(H,24,25).
What are the key properties of 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 362.47 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 11964256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).