5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole

C16H18N6O2 — CID 97211961

IUPAC5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESCc1cc(CN2CCCC[C@H]2c2nc(-c3ncccn3)no2)no1
InChIInChI=1S/C16H18N6O2/c1-11-9-12(20-23-11)10-22-8-3-2-5-13(22)16-19-15(21-24-16)14-17-6-4-7-18-14/h4,6-7,9,13H,2-3,5,8,10H2,1H3/t13-/m0/s1
InChIKeyGUUSNIKMHWHHGV-ZDUSSCGKSA-N
MW326.36 g/mol
LogP2.55
Rot. Bonds4

About 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole

5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole (PubChem CID 97211961) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
PubChem CID97211961
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESCc1cc(CN2CCCC[C@H]2c2nc(-c3ncccn3)no2)no1
InChIInChI=1S/C16H18N6O2/c1-11-9-12(20-23-11)10-22-8-3-2-5-13(22)16-19-15(21-24-16)14-17-6-4-7-18-14/h4,6-7,9,13H,2-3,5,8,10H2,1H3/t13-/m0/s1
InChIKeyGUUSNIKMHWHHGV-ZDUSSCGKSA-N
XLogP2.55
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 11268103
5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000090
5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124975748
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
(2R)-2-methyl-1-[(2S)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
CID 97213248
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
3-[5-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 11326461
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136934
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95110503

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole (CID 97211961) is 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole is Cc1cc(CN2CCCC[C@H]2c2nc(-c3ncccn3)no2)no1.
What is the InChIKey of 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The InChIKey is GUUSNIKMHWHHGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-9-12(20-23-11)10-22-8-3-2-5-13(22)16-19-15(21-24-16)14-17-6-4-7-18-14/h4,6-7,9,13H,2-3,5,8,10H2,1H3/t13-/m0/s1.
What are the key properties of 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole has a molecular weight of 326.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 97211961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).