tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid

C20H26F3N5O4 — CID 175564612

IUPACtert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid
SMILESCC(COCc1nc2c(o1)CN(c1ncc(C(F)(F)F)cn1)CC2)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C20H26F3N5O4/c1-12(28(18(29)30)19(2,3)4)10-31-11-16-26-14-5-6-27(9-15(14)32-16)17-24-7-13(8-25-17)20(21,22)23/h7-8,12H,5-6,9-11H2,1-4H3,(H,29,30)
InChIKeyLVWNRXFGMJRWQQ-UHFFFAOYSA-N
MW457.45 g/mol
LogP3.73
Rot. Bonds6

About tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid

tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid (PubChem CID 175564612) has the molecular formula C20H26F3N5O4 and a molecular weight of 457.45 g/mol. Its IUPAC name is tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid
PubChem CID175564612
Molecular FormulaC20H26F3N5O4
Molecular Weight457.45 g/mol
Exact Mass457.19
IUPAC Nametert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid
SMILESCC(COCc1nc2c(o1)CN(c1ncc(C(F)(F)F)cn1)CC2)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C20H26F3N5O4/c1-12(28(18(29)30)19(2,3)4)10-31-11-16-26-14-5-6-27(9-15(14)32-16)17-24-7-13(8-25-17)20(21,22)23/h7-8,12H,5-6,9-11H2,1-4H3,(H,29,30)
InChIKeyLVWNRXFGMJRWQQ-UHFFFAOYSA-N
XLogP3.73
TPSA104.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl-[(2S)-1-[[7-[5-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methoxy]butan-2-yl]carbamic acid
CID 174219147
(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine
CID 171779100
tert-butyl-[(1E)-1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]iminobutan-2-yl]carbamic acid
CID 170167700
2-(2-aminopropylamino)oxy-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 174227916
3-[(2S)-2-hydroxypropoxy]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 146218314
1-[[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]amino]propan-2-ylcarbamic acid
CID 174218118
5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine
CID 175564639
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 171778967
N-[2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 171478241
1-[(4-amino-2-methylindazol-6-yl)methoxy]propan-2-yl-tert-butylcarbamic acid
CID 155102985
tert-butyl N-[(2R)-1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]carbamate
CID 171493245
5-chloro-4-[methyl-[1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-1H-pyridazin-6-one
CID 146484091

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid (CID 175564612) is tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid is CC(COCc1nc2c(o1)CN(c1ncc(C(F)(F)F)cn1)CC2)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid?
The InChIKey is LVWNRXFGMJRWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O4/c1-12(28(18(29)30)19(2,3)4)10-31-11-16-26-14-5-6-27(9-15(14)32-16)17-24-7-13(8-25-17)20(21,22)23/h7-8,12H,5-6,9-11H2,1-4H3,(H,29,30).
What are the key properties of tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid?
tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid has a molecular weight of 457.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid is sourced from PubChem (CID 175564612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).