tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate

C25H34F3N5O5 — CID 142065729

IUPACtert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate
SMILESCOc1cncc(-c2cc(C(C)(C)N3CCN(C(=O)OC(C)(C)C)[C@H](CC(=O)NCC(F)(F)F)C3)on2)c1
InChIInChI=1S/C25H34F3N5O5/c1-23(2,3)37-22(35)33-8-7-32(14-17(33)10-21(34)30-15-25(26,27)28)24(4,5)20-11-19(31-38-20)16-9-18(36-6)13-29-12-16/h9,11-13,17H,7-8,10,14-15H2,1-6H3,(H,30,34)/t17-/m1/s1
InChIKeyNHZOOQBNOMLHCV-QGZVFWFLSA-N
MW541.57 g/mol
LogP3.97
Rot. Bonds7

About tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate

tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate (PubChem CID 142065729) has the molecular formula C25H34F3N5O5 and a molecular weight of 541.57 g/mol. Its IUPAC name is tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate
PubChem CID142065729
Molecular FormulaC25H34F3N5O5
Molecular Weight541.57 g/mol
Exact Mass541.25
IUPAC Nametert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate
SMILESCOc1cncc(-c2cc(C(C)(C)N3CCN(C(=O)OC(C)(C)C)[C@H](CC(=O)NCC(F)(F)F)C3)on2)c1
InChIInChI=1S/C25H34F3N5O5/c1-23(2,3)37-22(35)33-8-7-32(14-17(33)10-21(34)30-15-25(26,27)28)24(4,5)20-11-19(31-38-20)16-9-18(36-6)13-29-12-16/h9,11-13,17H,7-8,10,14-15H2,1-6H3,(H,30,34)/t17-/m1/s1
InChIKeyNHZOOQBNOMLHCV-QGZVFWFLSA-N
XLogP3.97
TPSA110.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 20602972
(2S)-4-[2-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 10238104
tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate
CID 53419941
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate
CID 59333103
ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate
CID 4055116
tert-butyl (2S)-2-[[[4-(3-hydroxyphenoxy)-2-(5-methoxy-3-pyridinyl)pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 67195574
tert-butyl (2S)-2-[[5-(3-aminophenyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 22872652
tert-butyl 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 155598499
tert-butyl (2R)-2-[2-[(5-bromo-3-pyridinyl)amino]ethyl]azetidine-1-carboxylate
CID 70231955
tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 15480236

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate (CID 142065729) is tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate is COc1cncc(-c2cc(C(C)(C)N3CCN(C(=O)OC(C)(C)C)[C@H](CC(=O)NCC(F)(F)F)C3)on2)c1.
What is the InChIKey of tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is NHZOOQBNOMLHCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H34F3N5O5/c1-23(2,3)37-22(35)33-8-7-32(14-17(33)10-21(34)30-15-25(26,27)28)24(4,5)20-11-19(31-38-20)16-9-18(36-6)13-29-12-16/h9,11-13,17H,7-8,10,14-15H2,1-6H3,(H,30,34)/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate?
tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 541.57 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-[2-[3-(5-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]propan-2-yl]-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 142065729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).