tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate

C25H28F3N5O5 — CID 168909309

IUPACtert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCc1ccnn1C[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C25H28F3N5O5/c1-15-8-9-30-33(15)14-18-11-17(13-32(18)23(35)38-24(2,3)4)31-21(34)22-29-12-20(36-22)16-6-5-7-19(10-16)37-25(26,27)28/h5-10,12,17-18H,11,13-14H2,1-4H3,(H,31,34)/t17-,18+/m1/s1
InChIKeyGVVFYXGNPYXPSA-MSOLQXFVSA-N
MW535.52 g/mol
LogP4.55
Rot. Bonds6

About tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate (PubChem CID 168909309) has the molecular formula C25H28F3N5O5 and a molecular weight of 535.52 g/mol. Its IUPAC name is tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
PubChem CID168909309
Molecular FormulaC25H28F3N5O5
Molecular Weight535.52 g/mol
Exact Mass535.20
IUPAC Nametert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCc1ccnn1C[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C25H28F3N5O5/c1-15-8-9-30-33(15)14-18-11-17(13-32(18)23(35)38-24(2,3)4)31-21(34)22-29-12-20(36-22)16-6-5-7-19(10-16)37-25(26,27)28/h5-10,12,17-18H,11,13-14H2,1-4H3,(H,31,34)/t17-,18+/m1/s1
InChIKeyGVVFYXGNPYXPSA-MSOLQXFVSA-N
XLogP4.55
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S,4R)-2-[(3-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 168909144
tert-butyl (2R)-2-(triazol-1-ylmethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 175594774
tert-butyl (2R)-4-amino-2-[(5-methylpyrazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 175594772
tert-butyl (2R,4R)-4-[[5-(3-cyano-4-fluorophenyl)-1,3-oxazole-2-carbonyl]amino]-2-methylpyrrolidine-1-carboxylate
CID 155711951
ethyl 5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxylate
CID 156881456
N-[(3R,5S)-1-cyano-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-5-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
CID 168909358
N-[(3R,5S)-1-cyano-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 168909044
N-[(3R,5S)-1-cyano-5-(methylsulfonylmethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 162363590
N-[(3R,5R)-1-cyano-5-methylpyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 162363607
N-[(3R,5S)-1-cyano-5-[(dimethylamino)methyl]pyrrolidin-3-yl]-5-(3-cyanophenyl)-1,3-oxazole-2-carboxamide
CID 155212298
tert-butyl 4-[3-(trifluoromethoxy)phenyl]-2,3-dihydropyrrole-1-carboxylate
CID 168909301
5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
CID 121231645

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate (CID 168909309) is tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate is Cc1ccnn1C[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is GVVFYXGNPYXPSA-MSOLQXFVSA-N. The full InChI is InChI=1S/C25H28F3N5O5/c1-15-8-9-30-33(15)14-18-11-17(13-32(18)23(35)38-24(2,3)4)31-21(34)22-29-12-20(36-22)16-6-5-7-19(10-16)37-25(26,27)28/h5-10,12,17-18H,11,13-14H2,1-4H3,(H,31,34)/t17-,18+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 535.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-2-[(5-methylpyrazol-1-yl)methyl]-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carbonyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 168909309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).