ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate

C14H23N3O3 — CID 99842677

IUPACethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@]1(C(C)C)CCN(Cc2noc(C)n2)C1
InChIInChI=1S/C14H23N3O3/c1-5-19-13(18)14(10(2)3)6-7-17(9-14)8-12-15-11(4)20-16-12/h10H,5-9H2,1-4H3/t14-/m1/s1
InChIKeyDLGPGDSINLITFG-CQSZACIVSA-N
MW281.36 g/mol
LogP1.79
Rot. Bonds5

About ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate

ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 99842677) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID99842677
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@]1(C(C)C)CCN(Cc2noc(C)n2)C1
InChIInChI=1S/C14H23N3O3/c1-5-19-13(18)14(10(2)3)6-7-17(9-14)8-12-15-11(4)20-16-12/h10H,5-9H2,1-4H3/t14-/m1/s1
InChIKeyDLGPGDSINLITFG-CQSZACIVSA-N
XLogP1.79
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate with MolForge

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Related Compounds

4-[(3-ethoxycarbonyl-3-propan-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 122033578
ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate
CID 120857952
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984320
ethyl (3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxylate
CID 124626361
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 103656955
3-ethoxy-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56805285
ethyl (3R)-1-(1,5-dimethylpyrrole-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate
CID 99841061
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080275
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
[(1S)-2,2-dichloro-1-methylcyclopropyl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 95623376
ethyl (3S)-3-propan-2-yl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylate
CID 99841022

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate (CID 99842677) is ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate is CCOC(=O)[C@]1(C(C)C)CCN(Cc2noc(C)n2)C1.
What is the InChIKey of ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is DLGPGDSINLITFG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-19-13(18)14(10(2)3)6-7-17(9-14)8-12-15-11(4)20-16-12/h10H,5-9H2,1-4H3/t14-/m1/s1.
What are the key properties of ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate?
ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 99842677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).