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

C23H19ClF6N2O2 — CID 11699054

IUPAC2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C
InChIInChI=1S/C23H19ClF6N2O2/c1-12-8-15-9-16(21(33,22(25,26)27)23(28,29)30)6-7-19(15)32(12)11-18-13(2)34-20(31-18)14-4-3-5-17(24)10-14/h3-7,9-10,12,33H,8,11H2,1-2H3
InChIKeyDSYCQWSBCLPFIA-UHFFFAOYSA-N
MW504.86 g/mol
LogP6.57
Rot. Bonds4

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

2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11699054) has the molecular formula C23H19ClF6N2O2 and a molecular weight of 504.86 g/mol. Its IUPAC name is 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11699054
Molecular FormulaC23H19ClF6N2O2
Molecular Weight504.86 g/mol
Exact Mass504.10
IUPAC Name2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C
InChIInChI=1S/C23H19ClF6N2O2/c1-12-8-15-9-16(21(33,22(25,26)27)23(28,29)30)6-7-19(15)32(12)11-18-13(2)34-20(31-18)14-4-3-5-17(24)10-14/h3-7,9-10,12,33H,8,11H2,1-2H3
InChIKeyDSYCQWSBCLPFIA-UHFFFAOYSA-N
XLogP6.57
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.86
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-(4-(Ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11584508
1,1,1,3,3,3-Hexafluoro-2-(4-(((5-methyl-2-(3-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)(2,2,2-trifluoroethyl)amino)phenyl)propan-2-ol
CID 11592304
2-(4-(((2-(3-Chlorophenyl)-5-methyloxazol-4-yl)methyl)(methyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11698867
2-(3-Chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)methyl)(ethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11713433
2-(4-(((2-(3-Chlorophenyl)-5-methyloxazol-4-yl)methyl)(2,2,2-trifluoroethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11713676
2-(3-Chloro-4-(ethyl((5-methyl-2-(3-(trifluoromethyl)phenyl)oxazol-4-yl)methyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11721039
4-[8-[[5-(3-Chloro-4-fluorophenyl)-2-phenyl-1,3-oxazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 66765618
4-[8-[[5-(3-Chloro-4-fluorophenyl)-2-cyclopropyl-1,3-oxazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 86766073
7-chloro-5-(2-fluorophenyl)-3-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 15945507
7-Chloro-5-(2-fluorophenyl)-3-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-YL]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one
CID 4681860
1-{[2-(3-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methyl}-5-(4-ethylphenyl)-1H,3AH,4H,5H,6H,6AH-pyrrolo[3,4-D][1,2,3]triazole-4,6-dione
CID 18592152
1-[(1-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-3-yl)carbonyl]indoline
CID 3240893

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11699054) is 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1oc(-c2cccc(Cl)c2)nc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C.
What is the InChIKey of 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is DSYCQWSBCLPFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF6N2O2/c1-12-8-15-9-16(21(33,22(25,26)27)23(28,29)30)6-7-19(15)32(12)11-18-13(2)34-20(31-18)14-4-3-5-17(24)10-14/h3-7,9-10,12,33H,8,11H2,1-2H3.
What are the key properties of 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 504.86 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11699054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).