2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol

C24H25F3N2O2 — CID 158353091

IUPAC2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1CN1c2ccc(C(C)(C)O)cc2CC1C
InChIInChI=1S/C24H25F3N2O2/c1-14-11-17-12-19(23(3,4)30)9-10-20(17)29(14)13-21-15(2)28-22(31-21)16-5-7-18(8-6-16)24(25,26)27/h5-10,12,14,30H,11,13H2,1-4H3
InChIKeyIERYOCSZBOYUGG-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.85
Rot. Bonds4

About 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol

2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol (PubChem CID 158353091) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol
PubChem CID158353091
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)oc1CN1c2ccc(C(C)(C)O)cc2CC1C
InChIInChI=1S/C24H25F3N2O2/c1-14-11-17-12-19(23(3,4)30)9-10-20(17)29(14)13-21-15(2)28-22(31-21)16-5-7-18(8-6-16)24(25,26)27/h5-10,12,14,30H,11,13H2,1-4H3
InChIKeyIERYOCSZBOYUGG-UHFFFAOYSA-N
XLogP5.85
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindol-5-yl]propan-2-ol
CID 11496479
5-(2-bromoethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 174698840
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(naphthalen-2-ylmethyl)-2,3-dihydroindol-5-yl]propan-2-ol
CID 21082171
3-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]propanoic acid
CID 143563930
5-[[3-(chloromethyl)phenoxy]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 69172323
2-[1-methyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propan-2-ol
CID 117200631
[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 21300962
2-methyl-2-[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]benzimidazol-4-yl]oxypropanoic acid
CID 143069363
2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066532
5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
2-(4-methylphenyl)-7-[2-[4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 170372832

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol (CID 158353091) is 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol is Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1CN1c2ccc(C(C)(C)O)cc2CC1C.
What is the InChIKey of 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
The InChIKey is IERYOCSZBOYUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-14-11-17-12-19(23(3,4)30)9-10-20(17)29(14)13-21-15(2)28-22(31-21)16-5-7-18(8-6-16)24(25,26)27/h5-10,12,14,30H,11,13H2,1-4H3.
What are the key properties of 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol?
2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol has a molecular weight of 430.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol is sourced from PubChem (CID 158353091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).