5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole

C17H22ClN5O3 — CID 128973617

IUPAC5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(C3CCOCC3)no2)CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C17H22ClN5O3/c1-24-17(15-21-14(22-26-15)12-2-8-25-9-3-12)4-6-23(7-5-17)16-19-10-13(18)11-20-16/h10-12H,2-9H2,1H3
InChIKeyLRIWBEXKHVWMFT-UHFFFAOYSA-N
MW379.85 g/mol
LogP2.55
Rot. Bonds4

About 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole

5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 128973617) has the molecular formula C17H22ClN5O3 and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
PubChem CID128973617
Molecular FormulaC17H22ClN5O3
Molecular Weight379.85 g/mol
Exact Mass379.14
IUPAC Name5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(C3CCOCC3)no2)CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C17H22ClN5O3/c1-24-17(15-21-14(22-26-15)12-2-8-25-9-3-12)4-6-23(7-5-17)16-19-10-13(18)11-20-16/h10-12H,2-9H2,1H3
InChIKeyLRIWBEXKHVWMFT-UHFFFAOYSA-N
XLogP2.55
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-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-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 132972034
(5-chloro-2-pyridinyl)-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methanone
CID 128973660
5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 167790282
1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 128973663
N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 128973592
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-cyclopropyl-6-(oxan-4-yl)pyrimidine
CID 155980365
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 128973649
3-chloro-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methyl]benzoic acid
CID 136552279
5-[4-(2-methoxyethyl)piperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 138039510
4-(5-chloropyrimidin-2-yl)-1,4-oxazepane
CID 134160397
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 128973645
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 128973547

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole (CID 128973617) is 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole is COC1(c2nc(C3CCOCC3)no2)CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is LRIWBEXKHVWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O3/c1-24-17(15-21-14(22-26-15)12-2-8-25-9-3-12)4-6-23(7-5-17)16-19-10-13(18)11-20-16/h10-12H,2-9H2,1H3.
What are the key properties of 5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole?
5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 379.85 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-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 128973617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).