methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate

C17H20N4O4 — CID 124760977

IUPACmethyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C17H20N4O4/c1-11-19-16(25-20-11)14-10-21(17(23)18-8-15(22)24-2)9-13(14)12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3,(H,18,23)/t13-,14+/m1/s1
InChIKeySVCQWHHNJFGMMD-KGLIPLIRSA-N
MW344.37 g/mol
LogP1.44
Rot. Bonds4

About methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate

methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate (PubChem CID 124760977) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate
PubChem CID124760977
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Namemethyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1
InChIInChI=1S/C17H20N4O4/c1-11-19-16(25-20-11)14-10-21(17(23)18-8-15(22)24-2)9-13(14)12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3,(H,18,23)/t13-,14+/m1/s1
InChIKeySVCQWHHNJFGMMD-KGLIPLIRSA-N
XLogP1.44
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate with MolForge

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Related Compounds

methyl 4-[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 100756690
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 129417393
(4-methoxyphenyl)-[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 87051849
(4-methoxyphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 156601842
(3-methoxy-1-methylpyrazol-4-yl)-[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]methanone
CID 129417679
[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129416756
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417214
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 129418052
[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 129418054
[(3R,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124856033
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129417122
[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 124892655

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate (CID 124760977) is methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate is COC(=O)CNC(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1.
What is the InChIKey of methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate?
The InChIKey is SVCQWHHNJFGMMD-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11-19-16(25-20-11)14-10-21(17(23)18-8-15(22)24-2)9-13(14)12-6-4-3-5-7-12/h3-7,13-14H,8-10H2,1-2H3,(H,18,23)/t13-,14+/m1/s1.
What are the key properties of methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate?
methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate has a molecular weight of 344.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 124760977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).