[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

C12H17N3O3 — CID 155947775

IUPAC[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(C2CCOCC2)o1)N1CCCC1
InChIInChI=1S/C12H17N3O3/c16-12(15-5-1-2-6-15)11-14-13-10(18-11)9-3-7-17-8-4-9/h9H,1-8H2
InChIKeyVBQYLTIYZSEOGC-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.20
Rot. Bonds2

About [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone

[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155947775) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155947775
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nnc(C2CCOCC2)o1)N1CCCC1
InChIInChI=1S/C12H17N3O3/c16-12(15-5-1-2-6-15)11-14-13-10(18-11)9-3-7-17-8-4-9/h9H,1-8H2
InChIKeyVBQYLTIYZSEOGC-UHFFFAOYSA-N
XLogP1.20
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide
CID 163622831
[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129479115
(5-ethylfuran-2-yl)-[2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128990688
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129345198
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110612150
ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 144584671
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl]methanone
CID 153311207
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 167925736
CID 59774594
CID 59774594
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752

Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone (CID 155947775) is [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1nnc(C2CCOCC2)o1)N1CCCC1.
What is the InChIKey of [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VBQYLTIYZSEOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-12(15-5-1-2-6-15)11-14-13-10(18-11)9-3-7-17-8-4-9/h9H,1-8H2.
What are the key properties of [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 251.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155947775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).