oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone

C17H20N4O3 — CID 167746745

IUPACoxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCC(Nc2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C17H20N4O3/c22-16(13-7-9-23-11-13)21-8-6-14(10-21)18-17-20-19-15(24-17)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,20)
InChIKeySFVYYCBKDBUOPZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.79
Rot. Bonds4

About oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone

oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 167746745) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID167746745
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameoxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCC(Nc2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C17H20N4O3/c22-16(13-7-9-23-11-13)21-8-6-14(10-21)18-17-20-19-15(24-17)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,20)
InChIKeySFVYYCBKDBUOPZ-UHFFFAOYSA-N
XLogP1.79
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 97342620
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 56778602
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 138384199
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]-2-phenoxyethanone
CID 167912396
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone (CID 167746745) is oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone is O=C(C1CCOC1)N1CCC(Nc2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is SFVYYCBKDBUOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(13-7-9-23-11-13)21-8-6-14(10-21)18-17-20-19-15(24-17)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,20).
What are the key properties of oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone?
oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167746745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).