4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium

C12H9F3FmNO- — CID 162549856

IUPAC4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium
SMILESCc1nc(-c2c[c-]cc(C(F)(F)F)c2)oc1C.[Fm]
InChIInChI=1S/C12H9F3NO.Fm/c1-7-8(2)17-11(16-7)9-4-3-5-10(6-9)12(13,14)15;/h4-6H,1-2H3;/q-1;
InChIKeyNYLXUNXVBDUXFX-UHFFFAOYSA-N
MW497.20 g/mol
LogP3.78
Rot. Bonds1

About 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium

4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium (PubChem CID 162549856) has the molecular formula C12H9F3FmNO- and a molecular weight of 497.20 g/mol. Its IUPAC name is 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium.

Molecular Properties

Compound Name4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium
PubChem CID162549856
Molecular FormulaC12H9F3FmNO-
Molecular Weight497.20 g/mol
Exact Mass497.16
IUPAC Name4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium
SMILESCc1nc(-c2c[c-]cc(C(F)(F)F)c2)oc1C.[Fm]
InChIInChI=1S/C12H9F3NO.Fm/c1-7-8(2)17-11(16-7)9-4-3-5-10(6-9)12(13,14)15;/h4-6H,1-2H3;/q-1;
InChIKeyNYLXUNXVBDUXFX-UHFFFAOYSA-N
XLogP3.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
CID 136731978
5-(5-Fluoro-6-methylhepta-2,4,6-trien-3-yl)-2,4-dimethyl-1,3-oxazole
CID 91492923
4-Methyl-5-(2-methylidenebut-3-enyl)-2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,3-oxazole
CID 134580655
5-[(Z)-3-fluoroprop-1-enyl]-2,4-dimethyl-1,3-oxazole
CID 141904051
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
5-(bromomethyl)-4-methyl-2-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-yl]-1,3-oxazole
CID 143640541
5-(Bromomethyl)-4-methyl-2-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]-1,3-oxazole
CID 143640612
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
CID 162534551
6-methyl-6-propan-2-yl-2-[(2Z,4E,6Z)-10,10,10-trifluorodeca-2,4,6-trien-5-yl]cyclohepta[d][1,3]oxazole
CID 166687913
5-ethenyl-2-propan-2-yl-4-[(1Z,3E)-5,5,5-trifluoropenta-1,3-dienyl]-1,3-oxazole
CID 167089457
(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
CID 169163187
(2E,4E)-4-[5-methyl-4-[(1E)-2-(trifluoromethyl)penta-1,3-dienyl]-1,3-oxazol-2-yl]hepta-2,4,6-trien-3-ol
CID 173472453

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium?
The IUPAC name of 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium (CID 162549856) is 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium.
What is the SMILES notation for 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium?
The canonical SMILES for 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium is Cc1nc(-c2c[c-]cc(C(F)(F)F)c2)oc1C.[Fm].
What is the InChIKey of 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium?
The InChIKey is NYLXUNXVBDUXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3NO.Fm/c1-7-8(2)17-11(16-7)9-4-3-5-10(6-9)12(13,14)15;/h4-6H,1-2H3;/q-1;.
What are the key properties of 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium?
4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium has a molecular weight of 497.20 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[3-(trifluoromethyl)benzene-5-id-1-yl]-1,3-oxazole;fermium is sourced from PubChem (CID 162549856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).