tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate

C14H22N2O4 — CID 56950044

IUPACtert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate
SMILESCc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)on1
InChIInChI=1S/C14H22N2O4/c1-10-8-12(20-15-10)18-9-11-6-5-7-16(11)13(17)19-14(2,3)4/h8,11H,5-7,9H2,1-4H3/t11-/m0/s1
InChIKeySNRQMMNDQKBXCQ-NSHDSACASA-N
MW282.34 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 56950044) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate
PubChem CID56950044
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate
SMILESCc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)on1
InChIInChI=1S/C14H22N2O4/c1-10-8-12(20-15-10)18-9-11-6-5-7-16(11)13(17)19-14(2,3)4/h8,11H,5-7,9H2,1-4H3/t11-/m0/s1
InChIKeySNRQMMNDQKBXCQ-NSHDSACASA-N
XLogP2.76
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]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 (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 86329095
tert-butyl (2R)-2-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 54565827
tert-butyl 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 68999157
tert-butyl (2S)-2-[(6-chloro-5-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 22961840
tert-butyl 2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 156848237
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid
CID 175142002
tert-butyl 2-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]pyrrolidine-1-carboxylate;ethane
CID 170977473
tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 15480236
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 2-(methylsulfanyloxymethyl)pyrrolidine-1-carboxylate
CID 70884119
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420
tert-butyl (2S)-2-[[(5-methylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 123611889

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate (CID 56950044) is tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate is Cc1cc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)on1.
What is the InChIKey of tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is SNRQMMNDQKBXCQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10-8-12(20-15-10)18-9-11-6-5-7-16(11)13(17)19-14(2,3)4/h8,11H,5-7,9H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 56950044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).