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

C23H20F3N3O3 — CID 142502454

IUPAC3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCc1nc(CN2C(=O)C(C)(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)co1
InChIInChI=1S/C23H20F3N3O3/c1-12-28-15(11-32-12)10-29-20-6-13(4-5-17(20)23(2,3)22(29)31)21(30)27-9-16-18(25)7-14(24)8-19(16)26/h4-8,11H,9-10H2,1-3H3,(H,27,30)
InChIKeyUCOMCIYHXFZAQQ-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.15
Rot. Bonds5

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

3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (PubChem CID 142502454) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
PubChem CID142502454
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
SMILESCc1nc(CN2C(=O)C(C)(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)co1
InChIInChI=1S/C23H20F3N3O3/c1-12-28-15(11-32-12)10-29-20-6-13(4-5-17(20)23(2,3)22(29)31)21(30)27-9-16-18(25)7-14(24)8-19(16)26/h4-8,11H,9-10H2,1-3H3,(H,27,30)
InChIKeyUCOMCIYHXFZAQQ-UHFFFAOYSA-N
XLogP4.15
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The IUPAC name of 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide (CID 142502454) is 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The canonical SMILES for 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is Cc1nc(CN2C(=O)C(C)(C)c3ccc(C(=O)NCc4c(F)cc(F)cc4F)cc32)co1.
What is the InChIKey of 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
The InChIKey is UCOMCIYHXFZAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-12-28-15(11-32-12)10-29-20-6-13(4-5-17(20)23(2,3)22(29)31)21(30)27-9-16-18(25)7-14(24)8-19(16)26/h4-8,11H,9-10H2,1-3H3,(H,27,30).
What are the key properties of 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide?
3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide is sourced from PubChem (CID 142502454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).