tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate

C17H22N4O3 — CID 154457614

IUPACtert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
SMILESCc1nccnc1-c1cc([C@H]2CCCN2C(=O)OC(C)(C)C)on1
InChIInChI=1S/C17H22N4O3/c1-11-15(19-8-7-18-11)12-10-14(24-20-12)13-6-5-9-21(13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3/t13-/m1/s1
InChIKeyFTDDSBIUEXXBBC-CYBMUJFWSA-N
MW330.39 g/mol
LogP3.51
Rot. Bonds2

About tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate (PubChem CID 154457614) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
PubChem CID154457614
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nametert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
SMILESCc1nccnc1-c1cc([C@H]2CCCN2C(=O)OC(C)(C)C)on1
InChIInChI=1S/C17H22N4O3/c1-11-15(19-8-7-18-11)12-10-14(24-20-12)13-6-5-9-21(13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3/t13-/m1/s1
InChIKeyFTDDSBIUEXXBBC-CYBMUJFWSA-N
XLogP3.51
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69237787
tert-butyl 2-[3-(3-methoxypyrazin-2-yl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69237791
tert-butyl 2-[3-(1,3-thiazol-4-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 68813555
tert-butyl 2-[3-(3-chloro-2-methylphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 138691241
tert-butyl 2-[3-(3-fluoro-2-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 138691235
ethyl 5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazole-3-carboxylate;1,2-oxazole
CID 67835428
tert-butyl (2S)-2-[3-(2-cyano-3-pyridinyl)-1,2-oxazol-5-yl]azetidine-1-carboxylate
CID 69240705
tert-butyl (2S)-2-(3-chloropyrazin-2-yl)pyrrolidine-1-carboxylate
CID 124997181
tert-butyl (2S)-2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
CID 10084409
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 73424849
tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542392
tert-butyl (2S)-2-[5-(4-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 130468627

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate (CID 154457614) is tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate is Cc1nccnc1-c1cc([C@H]2CCCN2C(=O)OC(C)(C)C)on1.
What is the InChIKey of tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate?
The InChIKey is FTDDSBIUEXXBBC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-15(19-8-7-18-11)12-10-14(24-20-12)13-6-5-9-21(13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 154457614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).