2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C24H22F3N3O2 — CID 23431806

IUPAC2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1ccccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H22F3N3O2/c1-16-6-3-4-7-20(16)31-15-5-8-21-22(18-9-11-19(12-10-18)24(25,26)27)29-23(32-21)30-14-13-28-17(30)2/h3-4,6-7,9-14H,5,8,15H2,1-2H3
InChIKeyNFQIDCBKVAJVDR-UHFFFAOYSA-N
MW441.45 g/mol
LogP6.17
Rot. Bonds7

About 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole

2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 23431806) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID23431806
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCc1ccccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H22F3N3O2/c1-16-6-3-4-7-20(16)31-15-5-8-21-22(18-9-11-19(12-10-18)24(25,26)27)29-23(32-21)30-14-13-28-17(30)2/h3-4,6-7,9-14H,5,8,15H2,1-2H3
InChIKeyNFQIDCBKVAJVDR-UHFFFAOYSA-N
XLogP6.17
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 23431806) is 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole is Cc1ccccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is NFQIDCBKVAJVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-16-6-3-4-7-20(16)31-15-5-8-21-22(18-9-11-19(12-10-18)24(25,26)27)29-23(32-21)30-14-13-28-17(30)2/h3-4,6-7,9-14H,5,8,15H2,1-2H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 441.45 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 23431806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).