cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C12H17N3O3 — CID 166228710

IUPACcyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C2CC2)C1
InChIInChI=1S/C12H17N3O3/c1-7-13-14-11(18-7)10-5-9(17-2)6-15(10)12(16)8-3-4-8/h8-10H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyYOUTYTMBPQUYMB-VHSXEESVSA-N
MW251.29 g/mol
LogP1.08
Rot. Bonds3

About cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 166228710) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID166228710
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namecyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C2CC2)C1
InChIInChI=1S/C12H17N3O3/c1-7-13-14-11(18-7)10-5-9(17-2)6-15(10)12(16)8-3-4-8/h8-10H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyYOUTYTMBPQUYMB-VHSXEESVSA-N
XLogP1.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 166228710) is cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YOUTYTMBPQUYMB-VHSXEESVSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-13-14-11(18-7)10-5-9(17-2)6-15(10)12(16)8-3-4-8/h8-10H,3-6H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 251.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166228710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).