1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide

C29H23F4N3O3 — CID 142502572

IUPAC1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CN1C(=O)C(C)(C)c2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc21
InChIInChI=1S/C29H23F4N3O3/c1-15-24(35-27(39-15)16-4-7-18(30)8-5-16)14-36-25-10-17(6-9-21(25)29(2,3)28(36)38)26(37)34-13-20-22(32)11-19(31)12-23(20)33/h4-12H,13-14H2,1-3H3,(H,34,37)
InChIKeyUCSYKTBOMXEWOD-UHFFFAOYSA-N
MW537.51 g/mol
LogP5.96
Rot. Bonds6

About 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide

1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (PubChem CID 142502572) has the molecular formula C29H23F4N3O3 and a molecular weight of 537.51 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
PubChem CID142502572
Molecular FormulaC29H23F4N3O3
Molecular Weight537.51 g/mol
Exact Mass537.17
IUPAC Name1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CN1C(=O)C(C)(C)c2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc21
InChIInChI=1S/C29H23F4N3O3/c1-15-24(35-27(39-15)16-4-7-18(30)8-5-16)14-36-25-10-17(6-9-21(25)29(2,3)28(36)38)26(37)34-13-20-22(32)11-19(31)12-23(20)33/h4-12H,13-14H2,1-3H3,(H,34,37)
InChIKeyUCSYKTBOMXEWOD-UHFFFAOYSA-N
XLogP5.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592799
1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 170071729
1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 146592755
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502443
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N-[(5-fluoro-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 142502609
4-iodo-3,3-dimethyl-1-[(3-methylphenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 137367658
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 146592690
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]indol-2-one
CID 95095311
N-[(5-fluoro-1-benzofuran-2-yl)methyl]-1-[[4-fluoro-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592766
N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592747
N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide
CID 146592733
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The IUPAC name of 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (CID 142502572) is 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is Cc1oc(-c2ccc(F)cc2)nc1CN1C(=O)C(C)(C)c2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc21.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The InChIKey is UCSYKTBOMXEWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F4N3O3/c1-15-24(35-27(39-15)16-4-7-18(30)8-5-16)14-36-25-10-17(6-9-21(25)29(2,3)28(36)38)26(37)34-13-20-22(32)11-19(31)12-23(20)33/h4-12H,13-14H2,1-3H3,(H,34,37).
What are the key properties of 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide has a molecular weight of 537.51 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 142502572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).