2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C23H17ClF6N2O2 — CID 11627507

IUPAC2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1oc(-c2ccc(Cl)cc2)nc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C23H17ClF6N2O2/c1-12-9-15-10-16(21(33,22(25,26)27)23(28,29)30)5-8-19(15)32(12)11-18-13(2)34-20(31-18)14-3-6-17(24)7-4-14/h3-10,33H,11H2,1-2H3
InChIKeyIUYJRADXTVWFOV-UHFFFAOYSA-N
MW502.84 g/mol
LogP6.93
Rot. Bonds4

About 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11627507) has the molecular formula C23H17ClF6N2O2 and a molecular weight of 502.84 g/mol. Its IUPAC name is 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11627507
Molecular FormulaC23H17ClF6N2O2
Molecular Weight502.84 g/mol
Exact Mass502.09
IUPAC Name2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1oc(-c2ccc(Cl)cc2)nc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C23H17ClF6N2O2/c1-12-9-15-10-16(21(33,22(25,26)27)23(28,29)30)5-8-19(15)32(12)11-18-13(2)34-20(31-18)14-3-6-17(24)7-4-14/h3-10,33H,11H2,1-2H3
InChIKeyIUYJRADXTVWFOV-UHFFFAOYSA-N
XLogP6.93
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.84
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylindol-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzaldehyde
CID 21082219
1-fluoro-2-[2-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-5-yl]propan-2-ol
CID 141125686
2-[1-[[2-(2-chlorophenyl)-5-(hydroxymethyl)-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11548102
2-[3-chloro-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-ethylamino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11713433
1,1,1,3,3,3-hexafluoro-2-[4-[[2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methylphenyl]propan-2-ol
CID 11719878
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
2-[3-chloro-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11691818
2-[4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11641273
4-[4-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]-N,N-dimethylbenzamide
CID 11691851
5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
CID 24623437
2-(4-chlorophenyl)-5-methyl-4-[[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 45280650
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
CID 178059455

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11627507) is 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1oc(-c2ccc(Cl)cc2)nc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21.
What is the InChIKey of 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is IUYJRADXTVWFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF6N2O2/c1-12-9-15-10-16(21(33,22(25,26)27)23(28,29)30)5-8-19(15)32(12)11-18-13(2)34-20(31-18)14-3-6-17(24)7-4-14/h3-10,33H,11H2,1-2H3.
What are the key properties of 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 502.84 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11627507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).