5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole

C11H13N5O — CID 43622139

IUPAC5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(C3CCCNC3)n2)nc1
InChIInChI=1S/C11H13N5O/c1-3-8(7-12-4-1)11-15-10(16-17-11)9-13-5-2-6-14-9/h2,5-6,8,12H,1,3-4,7H2
InChIKeyMLDBFGXYMPKFBW-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.99
Rot. Bonds2

About 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole

5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole (PubChem CID 43622139) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole
PubChem CID43622139
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESc1cnc(-c2noc(C3CCCNC3)n2)nc1
InChIInChI=1S/C11H13N5O/c1-3-8(7-12-4-1)11-15-10(16-17-11)9-13-5-2-6-14-9/h2,5-6,8,12H,1,3-4,7H2
InChIKeyMLDBFGXYMPKFBW-UHFFFAOYSA-N
XLogP0.99
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53509596
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53513005
1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56818824
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56818845
5-Propan-2-yl-3-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 72138470
5-Ethyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 72138471
2-[5-(Azetidin-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine hydrochloride
CID 72716114
(3R*,5S*)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72851370
N-[2-(5-Cyclopentyl-1,2,4-oxadiazol-3-YL)ethyl]pyrimidin-2-amine
CID 72932893
(3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97200426
4-N-butyl-6-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 100671048
5-[(2S)-hexan-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 124851765

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole (CID 43622139) is 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole is c1cnc(-c2noc(C3CCCNC3)n2)nc1.
What is the InChIKey of 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The InChIKey is MLDBFGXYMPKFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-8(7-12-4-1)11-15-10(16-17-11)9-13-5-2-6-14-9/h2,5-6,8,12H,1,3-4,7H2.
What are the key properties of 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole?
5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-3-pyrimidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43622139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).