N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide

C24H21F3N4O3 — CID 126666123

IUPACN-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(-c2nn([C@H](C)c3ccc(C(F)(F)F)cc3)c(=O)c3c(C)noc23)c1
InChIInChI=1S/C24H21F3N4O3/c1-12-5-10-18(28-15(4)32)11-19(12)21-22-20(13(2)30-34-22)23(33)31(29-21)14(3)16-6-8-17(9-7-16)24(25,26)27/h5-11,14H,1-4H3,(H,28,32)/t14-/m1/s1
InChIKeyHFIITERLOQGPHN-CQSZACIVSA-N
MW470.45 g/mol
LogP5.25
Rot. Bonds4

About N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide

N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide (PubChem CID 126666123) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide
PubChem CID126666123
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(-c2nn([C@H](C)c3ccc(C(F)(F)F)cc3)c(=O)c3c(C)noc23)c1
InChIInChI=1S/C24H21F3N4O3/c1-12-5-10-18(28-15(4)32)11-19(12)21-22-20(13(2)30-34-22)23(33)31(29-21)14(3)16-6-8-17(9-7-16)24(25,26)27/h5-11,14H,1-4H3,(H,28,32)/t14-/m1/s1
InChIKeyHFIITERLOQGPHN-CQSZACIVSA-N
XLogP5.25
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide with MolForge

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Related Compounds

7-bromo-5-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666068
3,7-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666046
5-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(2-methoxyphenyl)-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666156
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26699893
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-[4-[[2-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]phenyl]acetamide
CID 137483088
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808169
(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate
CID 60584071
(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate
CID 134150498
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
CID 42955452

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide (CID 126666123) is N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide is CC(=O)Nc1ccc(C)c(-c2nn([C@H](C)c3ccc(C(F)(F)F)cc3)c(=O)c3c(C)noc23)c1.
What is the InChIKey of N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide?
The InChIKey is HFIITERLOQGPHN-CQSZACIVSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-12-5-10-18(28-15(4)32)11-19(12)21-22-20(13(2)30-34-22)23(33)31(29-21)14(3)16-6-8-17(9-7-16)24(25,26)27/h5-11,14H,1-4H3,(H,28,32)/t14-/m1/s1.
What are the key properties of N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide?
N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide has a molecular weight of 470.45 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide is sourced from PubChem (CID 126666123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).