5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole

C15H21N5O2 — CID 50962035

IUPAC5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(N2CCC(c3nc(C(C)C)no3)CC2)ncn1
InChIInChI=1S/C15H21N5O2/c1-10(2)14-18-15(22-19-14)11-4-6-20(7-5-11)12-8-13(21-3)17-9-16-12/h8-11H,4-7H2,1-3H3
InChIKeyBSTMRWNBGIEXOC-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.38
Rot. Bonds4

About 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 50962035) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID50962035
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(N2CCC(c3nc(C(C)C)no3)CC2)ncn1
InChIInChI=1S/C15H21N5O2/c1-10(2)14-18-15(22-19-14)11-4-6-20(7-5-11)12-8-13(21-3)17-9-16-12/h8-11H,4-7H2,1-3H3
InChIKeyBSTMRWNBGIEXOC-UHFFFAOYSA-N
XLogP2.38
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 50951720
(3aR,7S,7aS)-2-(6-methoxypyrimidin-4-yl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97364748
4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
CID 39819410
5-Fluoro-2-[4-(3-isopropyl-1,2,4-oxadiazol-5-YL)piperidin-1-YL]-4-methoxypyrimidine
CID 129612036
4-[3-(4,4-Difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-6-methoxypyrimidine
CID 165434877
2-[3-Fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-methoxypyrimidine
CID 171334198
4-[3-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]-6-methoxy-2-pyrimidinamine
CID 45932421
1-Cyclopentyl-4-{[(6-methoxypyrimidin-4-YL)(methyl)amino]methyl}pyrrolidin-2-one
CID 50955970
8-(6-Methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 50957279
N-[2-(5-Isopropyl-1,2,4-oxadiazol-3-YL)ethyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 50968812
1-[1-(6-Methoxypyrimidin-4-yl)piperidin-3-yl]pyrrolidin-2-one
CID 56870950
3-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(propan-2-yloxy)pyrimidin-4-yl]piperidin-3-ol
CID 137840242

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 50962035) is 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is COc1cc(N2CCC(c3nc(C(C)C)no3)CC2)ncn1.
What is the InChIKey of 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is BSTMRWNBGIEXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)14-18-15(22-19-14)11-4-6-20(7-5-11)12-8-13(21-3)17-9-16-12/h8-11H,4-7H2,1-3H3.
What are the key properties of 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 303.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 50962035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).