2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide

C25H21F3N6O3 — CID 145209088

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1cc(Cn2nc(C(F)(F)F)c(NC(=O)c3cc(-c4c(C)noc4C)nc4ccccc34)c2C)no1
InChIInChI=1S/C25H21F3N6O3/c1-12-9-16(33-36-12)11-34-14(3)22(23(31-34)25(26,27)28)30-24(35)18-10-20(21-13(2)32-37-15(21)4)29-19-8-6-5-7-17(18)19/h5-10H,11H2,1-4H3,(H,30,35)
InChIKeyHKEQGYLIMXUMEB-UHFFFAOYSA-N
MW510.48 g/mol
LogP5.63
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 145209088) has the molecular formula C25H21F3N6O3 and a molecular weight of 510.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID145209088
Molecular FormulaC25H21F3N6O3
Molecular Weight510.48 g/mol
Exact Mass510.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1cc(Cn2nc(C(F)(F)F)c(NC(=O)c3cc(-c4c(C)noc4C)nc4ccccc34)c2C)no1
InChIInChI=1S/C25H21F3N6O3/c1-12-9-16(33-36-12)11-34-14(3)22(23(31-34)25(26,27)28)30-24(35)18-10-20(21-13(2)32-37-15(21)4)29-19-8-6-5-7-17(18)19/h5-10H,11H2,1-4H3,(H,30,35)
InChIKeyHKEQGYLIMXUMEB-UHFFFAOYSA-N
XLogP5.63
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

(4,4-Difluorocyclohexyl)-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
CID 90449009
4-[3-[1-(Difluoromethyl)pyrazol-4-yl]-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628254
4-[3-[1-(Difluoromethyl)pyrazol-4-yl]-1-[(2-fluorophenyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628275
3,5-Dimethyl-4-[1-(1-phenyl-ethyl)-3-[1-(2,2,2-trifluoro-ethyl)pyrazol-4-yl]pyrrolo [3,2-b]pyridin-6-yl] isoxazole
CID 117628326
4-[1-Benzyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059806
5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220493
N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 17252716
CID 140770516
CID 140770516
N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
CID 155560708
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-5-carboxamide
CID 57422305
5-phenyl-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220677
N-{3,5-Dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-YL}-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 15988827

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 145209088) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide is Cc1cc(Cn2nc(C(F)(F)F)c(NC(=O)c3cc(-c4c(C)noc4C)nc4ccccc34)c2C)no1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is HKEQGYLIMXUMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O3/c1-12-9-16(33-36-12)11-34-14(3)22(23(31-34)25(26,27)28)30-24(35)18-10-20(21-13(2)32-37-15(21)4)29-19-8-6-5-7-17(18)19/h5-10H,11H2,1-4H3,(H,30,35).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 510.48 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 145209088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).