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

C21H19F3N2O2 — CID 11964319

IUPAC8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCN(c1ncc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc2c1CC(O)CC2
InChIInChI=1S/C21H19F3N2O2/c1-26(18-4-2-3-13-7-10-16(27)11-17(13)18)20-25-12-19(28-20)14-5-8-15(9-6-14)21(22,23)24/h2-6,8-9,12,16,27H,7,10-11H2,1H3
InChIKeyUGFZIPOTVFZOQX-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.98
Rot. Bonds3

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

8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 11964319) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID11964319
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCN(c1ncc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc2c1CC(O)CC2
InChIInChI=1S/C21H19F3N2O2/c1-26(18-4-2-3-13-7-10-16(27)11-17(13)18)20-25-12-19(28-20)14-5-8-15(9-6-14)21(22,23)24/h2-6,8-9,12,16,27H,7,10-11H2,1H3
InChIKeyUGFZIPOTVFZOQX-UHFFFAOYSA-N
XLogP4.98
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(5-Phenyl-oxazol-2-ylamino)phenylmethanol
CID 5329847
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-3,4-dihydronaphthalen-2(1H)-one
CID 11955840
N1-[5-(4-Trifluoromethylphenyl)oxazol-2-yl]-5,6,7,8-tetrahydronaphthalene-1,7-diamine
CID 11964241
8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964255
8-[5-(4-tert-Butylphenyl)oxazol-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964256
8-[5-(4-Chlorophenyl)oxazol-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964259
8-{5-[4-(Pyrrolidin-1-yl)phenyl]oxazol-2-ylamino}-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964260
8-(5-p-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964262
8-[5-(4-Methoxyphenyl)oxazol-2-ylamino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964282
8-[(5-Phenyl-1,3-oxazol-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964283
8-(5-o-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964284
8-(5-m-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11964285

Frequently Asked Questions

What is the IUPAC name of 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 11964319) is 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is CN(c1ncc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc2c1CC(O)CC2.
What is the InChIKey of 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is UGFZIPOTVFZOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-26(18-4-2-3-13-7-10-16(27)11-17(13)18)20-25-12-19(28-20)14-5-8-15(9-6-14)21(22,23)24/h2-6,8-9,12,16,27H,7,10-11H2,1H3.
What are the key properties of 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 388.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 11964319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).