5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

C18H15F3N6O2 — CID 68572379

IUPAC5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCc1cc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)on1
InChIInChI=1S/C18H15F3N6O2/c1-9-4-12(29-27-9)7-22-16-13(18(19,20)21)8-23-17(26-16)24-11-2-3-14-10(5-11)6-15(28)25-14/h2-5,8H,6-7H2,1H3,(H,25,28)(H2,22,23,24,26)
InChIKeyNBTXFSYRCNCHKK-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.64
Rot. Bonds5

About 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 68572379) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID68572379
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCc1cc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)on1
InChIInChI=1S/C18H15F3N6O2/c1-9-4-12(29-27-9)7-22-16-13(18(19,20)21)8-23-17(26-16)24-11-2-3-14-10(5-11)6-15(28)25-14/h2-5,8H,6-7H2,1H3,(H,25,28)(H2,22,23,24,26)
InChIKeyNBTXFSYRCNCHKK-UHFFFAOYSA-N
XLogP3.64
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 68572379) is 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is Cc1cc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)on1.
What is the InChIKey of 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is NBTXFSYRCNCHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2/c1-9-4-12(29-27-9)7-22-16-13(18(19,20)21)8-23-17(26-16)24-11-2-3-14-10(5-11)6-15(28)25-14/h2-5,8H,6-7H2,1H3,(H,25,28)(H2,22,23,24,26).
What are the key properties of 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 404.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 68572379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).