5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C18H21N5O2 — CID 95110503

IUPAC5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCCC[C@@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H21N5O2/c1-12-15(13(2)24-21-12)11-23-9-4-3-7-16(23)18-20-17(22-25-18)14-6-5-8-19-10-14/h5-6,8,10,16H,3-4,7,9,11H2,1-2H3/t16-/m1/s1
InChIKeyFYKYHCTXAPCUSN-MRXNPFEDSA-N
MW339.40 g/mol
LogP3.46
Rot. Bonds4

About 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 95110503) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID95110503
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCCC[C@@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H21N5O2/c1-12-15(13(2)24-21-12)11-23-9-4-3-7-16(23)18-20-17(22-25-18)14-6-5-8-19-10-14/h5-6,8,10,16H,3-4,7,9,11H2,1-2H3/t16-/m1/s1
InChIKeyFYKYHCTXAPCUSN-MRXNPFEDSA-N
XLogP3.46
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
(6-methyl-3-pyridinyl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192007
(6-methyl-3-pyridinyl)-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110782
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 72923805
3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 11268103
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
(3S)-4-cyclopentyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 100659561
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879
5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95570862
5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56825307

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1noc(C)c1CN1CCCC[C@@H]1c1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is FYKYHCTXAPCUSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-15(13(2)24-21-12)11-23-9-4-3-7-16(23)18-20-17(22-25-18)14-6-5-8-19-10-14/h5-6,8,10,16H,3-4,7,9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95110503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).