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

C20H17F3N2O2 — CID 11964255

IUPAC8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESOC1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11,15,26H,6,9-10H2,(H,24,25)
InChIKeyCUZYESXNFSPXJT-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.95
Rot. Bonds3

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

8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 11964255) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID11964255
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESOC1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11,15,26H,6,9-10H2,(H,24,25)
InChIKeyCUZYESXNFSPXJT-UHFFFAOYSA-N
XLogP4.95
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 11964255) is 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is OC1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1.
What is the InChIKey of 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is CUZYESXNFSPXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11,15,26H,6,9-10H2,(H,24,25).
What are the key properties of 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 374.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 11964255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).