8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one

C20H15F3N2O2 — CID 11955840

IUPAC8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1
InChIInChI=1S/C20H15F3N2O2/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/h1-5,7-8,11H,6,9-10H2,(H,24,25)
InChIKeyIGGYRYMEBKBTEX-UHFFFAOYSA-N
MW372.35 g/mol
LogP5.16
Rot. Bonds3

About 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one

8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 11955840) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
PubChem CID11955840
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1
InChIInChI=1S/C20H15F3N2O2/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/h1-5,7-8,11H,6,9-10H2,(H,24,25)
InChIKeyIGGYRYMEBKBTEX-UHFFFAOYSA-N
XLogP5.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-Diphenyl-2-oxazolamine
CID 5329404
2-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329843
N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
3-[(5-Phenyl-1,3-oxazol-2-yl)amino]benzonitrile
CID 5329845
3-(5-Phenyl-oxazol-2-ylamino)phenylmethanol
CID 5329847
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)oxazol-2-amine
CID 11711943
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

Frequently Asked Questions

What is the IUPAC name of 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one (CID 11955840) is 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cccc(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]-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is IGGYRYMEBKBTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/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/h1-5,7-8,11H,6,9-10H2,(H,24,25).
What are the key properties of 8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one?
8-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 372.35 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 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]-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 11955840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).