5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C15H19ClFN5O2 — CID 87111307

IUPAC5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3cnc(Cl)nc3)C(F)C2)n1
InChIInChI=1S/C15H19ClFN5O2/c1-9(2)13-20-15(24-21-13)22-4-3-10(12(17)7-22)8-23-11-5-18-14(16)19-6-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyLGOFZWAODPOXQI-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.88
Rot. Bonds5

About 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 87111307) has the molecular formula C15H19ClFN5O2 and a molecular weight of 355.80 g/mol. Its IUPAC name is 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID87111307
Molecular FormulaC15H19ClFN5O2
Molecular Weight355.80 g/mol
Exact Mass355.12
IUPAC Name5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(COc3cnc(Cl)nc3)C(F)C2)n1
InChIInChI=1S/C15H19ClFN5O2/c1-9(2)13-20-15(24-21-13)22-4-3-10(12(17)7-22)8-23-11-5-18-14(16)19-6-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyLGOFZWAODPOXQI-UHFFFAOYSA-N
XLogP2.88
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[3-(2-chloropyrimidin-5-yl)oxypropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 86662939
5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 87202907
1-[4-amino-1-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 77179351
1-[(3R,4R)-4-amino-1-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]pyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693774
5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 70856291
tert-butyl N-[(3R,4S)-1-[5-[[(3S,4R)-3-methoxy-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]pyrimidin-2-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]carbamate
CID 123998644
5-[4-(1-butan-2-yloxyethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 155573662
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133480686
5-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 140516723
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-4-carbaldehyde
CID 86638744
3-propan-2-yl-5-[4-[(2R)-4-pyrimidin-2-yloxybutan-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
CID 141278196
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 87111307) is 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(COc3cnc(Cl)nc3)C(F)C2)n1.
What is the InChIKey of 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LGOFZWAODPOXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5O2/c1-9(2)13-20-15(24-21-13)22-4-3-10(12(17)7-22)8-23-11-5-18-14(16)19-6-11/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 355.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-chloropyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 87111307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).