3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole

C18H27N5O2 — CID 141278196

IUPAC3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)CCOc3ncccn3)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-13(2)16-21-18(25-22-16)23-10-5-15(6-11-23)14(3)7-12-24-17-19-8-4-9-20-17/h4,8-9,13-15H,5-7,10-12H2,1-3H3/t14-/m1/s1
InChIKeyONWMEZFHNMOMPT-CQSZACIVSA-N
MW345.45 g/mol
LogP3.30
Rot. Bonds7

About 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole

3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 141278196) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID141278196
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)CCOc3ncccn3)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-13(2)16-21-18(25-22-16)23-10-5-15(6-11-23)14(3)7-12-24-17-19-8-4-9-20-17/h4,8-9,13-15H,5-7,10-12H2,1-3H3/t14-/m1/s1
InChIKeyONWMEZFHNMOMPT-CQSZACIVSA-N
XLogP3.30
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-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

5-[4-[(2R)-4-[(5-methylsulfonyl-2-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59293910
5-[4-[(2R)-4-[(6-methylsulfonyl-3-pyridinyl)oxy]butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 68548914
2-methyl-6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyridine-3-carboxylic acid
CID 67134697
[(3S,4S)-4-amino-1-[5-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-2-yl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 53491969
5-[4-(1-butan-2-yloxyethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 155573662
(1R)-2-(2,5-difluorophenyl)-1-[4-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]phenyl]ethanamine
CID 25222015
1-[4-amino-1-[5-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-2-yl]pyrrolidin-3-yl]pyrrolidin-2-one
CID 142710933
(2S)-2-amino-3-[4-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]phenyl]-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 25221565
1-[(3S,4S)-4-amino-1-[6-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 46913005
1-[4-amino-1-[6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 75251991
tert-butyl N-[(3S,4R)-4-(2-oxopiperidin-1-yl)-1-[2-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-5-yl]pyrrolidin-3-yl]carbamate
CID 66605996
5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (CID 141278196) is 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc(N2CCC([C@H](C)CCOc3ncccn3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is ONWMEZFHNMOMPT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(2)16-21-18(25-22-16)23-10-5-15(6-11-23)14(3)7-12-24-17-19-8-4-9-20-17/h4,8-9,13-15H,5-7,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 345.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 141278196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).