(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C28H24F3N5O — CID 124711113

IUPAC(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H24F3N5O/c1-36(2)22(20-14-9-15-21(16-20)28(29,30)31)17-32-25-23-26(34-24(33-25)18-10-5-3-6-11-18)35-27(37-23)19-12-7-4-8-13-19/h3-16,22H,17H2,1-2H3,(H,32,33,34)/t22-/m1/s1
InChIKeyGFOXWFGNFKAEBK-JOCHJYFZSA-N
MW503.53 g/mol
LogP6.69
Rot. Bonds7

About (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 124711113) has the molecular formula C28H24F3N5O and a molecular weight of 503.53 g/mol. Its IUPAC name is (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID124711113
Molecular FormulaC28H24F3N5O
Molecular Weight503.53 g/mol
Exact Mass503.19
IUPAC Name(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H24F3N5O/c1-36(2)22(20-14-9-15-21(16-20)28(29,30)31)17-32-25-23-26(34-24(33-25)18-10-5-3-6-11-18)35-27(37-23)19-12-7-4-8-13-19/h3-16,22H,17H2,1-2H3,(H,32,33,34)/t22-/m1/s1
InChIKeyGFOXWFGNFKAEBK-JOCHJYFZSA-N
XLogP6.69
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.53
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine with MolForge

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Related Compounds

N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479856
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479867
N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479938
4-N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133479841
N',N'-dimethyl-N-[2-phenyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 4667934
N,N-dimethyl-N'-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479843
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418370
N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 119056801
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
2-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]ethanol
CID 56692563
N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide
CID 166201585
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975

Frequently Asked Questions

What is the IUPAC name of (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 124711113) is (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN(C)[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is GFOXWFGNFKAEBK-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H24F3N5O/c1-36(2)22(20-14-9-15-21(16-20)28(29,30)31)17-32-25-23-26(34-24(33-25)18-10-5-3-6-11-18)35-27(37-23)19-12-7-4-8-13-19/h3-16,22H,17H2,1-2H3,(H,32,33,34)/t22-/m1/s1.
What are the key properties of (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 503.53 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 124711113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).