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

C14H19N5O3 — CID 128965007

IUPAC5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C14H19N5O3/c1-8-15-14(22-17-8)11-5-10(20-2)6-19(11)7-12-16-13(21-18-12)9-3-4-9/h9-11H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyHIDFQYROPXQDMM-WDEREUQCSA-N
MW305.34 g/mol
LogP1.60
Rot. Bonds5

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

5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 128965007) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID128965007
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCO[C@H]1C[C@H](c2nc(C)no2)N(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C14H19N5O3/c1-8-15-14(22-17-8)11-5-10(20-2)6-19(11)7-12-16-13(21-18-12)9-3-4-9/h9-11H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKeyHIDFQYROPXQDMM-WDEREUQCSA-N
XLogP1.60
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2R,4R)-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966068
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
5-[(2R,4R)-4-methoxy-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128966405
5-[(2R,4R)-4-methoxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128968587
5-[(2R,4S)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129005669
5-[(2R,4R)-4-methoxy-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128993270
5-[(2R,4S)-4-methoxy-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129001016
5-[(2R,4R)-4-methoxy-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128971436
5-[(2R,4R)-1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128967494
5-[(2R,4R)-4-methoxy-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]pyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129429473
[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 129393612
5-[(2R,4R)-1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 167951118

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 128965007) is 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HIDFQYROPXQDMM-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-15-14(22-17-8)11-5-10(20-2)6-19(11)7-12-16-13(21-18-12)9-3-4-9/h9-11H,3-7H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 305.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[(2R,4S)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 128965007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).