1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone

C17H21N5O2 — CID 91921502

IUPAC1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
SMILESCN1CCCC1c1nc(C2CN(C(=O)Cc3cccnc3)C2)no1
InChIInChI=1S/C17H21N5O2/c1-21-7-3-5-14(21)17-19-16(20-24-17)13-10-22(11-13)15(23)8-12-4-2-6-18-9-12/h2,4,6,9,13-14H,3,5,7-8,10-11H2,1H3
InChIKeyRHPTZZNCXJVYAB-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.40
Rot. Bonds4

About 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone

1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 91921502) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID91921502
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
SMILESCN1CCCC1c1nc(C2CN(C(=O)Cc3cccnc3)C2)no1
InChIInChI=1S/C17H21N5O2/c1-21-7-3-5-14(21)17-19-16(20-24-17)13-10-22(11-13)15(23)8-12-4-2-6-18-9-12/h2,4,6,9,13-14H,3,5,7-8,10-11H2,1H3
InChIKeyRHPTZZNCXJVYAB-UHFFFAOYSA-N
XLogP1.40
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 71928959
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 120956441
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 171141503
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 91770568
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
CID 91921546
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone (CID 91921502) is 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone is CN1CCCC1c1nc(C2CN(C(=O)Cc3cccnc3)C2)no1.
What is the InChIKey of 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is RHPTZZNCXJVYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-7-3-5-14(21)17-19-16(20-24-17)13-10-22(11-13)15(23)8-12-4-2-6-18-9-12/h2,4,6,9,13-14H,3,5,7-8,10-11H2,1H3.
What are the key properties of 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 327.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 91921502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).