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

C20H19FN2O2 — CID 25270195

IUPAC8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c1-12-19(14-5-8-15(21)9-6-14)25-20(22-12)23-18-4-2-3-13-7-10-16(24)11-17(13)18/h2-6,8-9,16,24H,7,10-11H2,1H3,(H,22,23)
InChIKeyUFZOEXRDJHPHEH-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.38
Rot. Bonds3

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

8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 25270195) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID25270195
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c1-12-19(14-5-8-15(21)9-6-14)25-20(22-12)23-18-4-2-3-13-7-10-16(24)11-17(13)18/h2-6,8-9,16,24H,7,10-11H2,1H3,(H,22,23)
InChIKeyUFZOEXRDJHPHEH-UHFFFAOYSA-N
XLogP4.38
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 25270195) is 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is Cc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(F)cc1.
What is the InChIKey of 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is UFZOEXRDJHPHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-12-19(14-5-8-15(21)9-6-14)25-20(22-12)23-18-4-2-3-13-7-10-16(24)11-17(13)18/h2-6,8-9,16,24H,7,10-11H2,1H3,(H,22,23).
What are the key properties of 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 338.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(4-fluorophenyl)-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 25270195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).