(5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C16H20ClN5O2 — CID 95777217

IUPAC(5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)n1
InChIInChI=1S/C16H20ClN5O2/c1-9(2)15-20-14(21-24-15)11-5-4-6-22(8-11)16(23)13-12(17)7-18-10(3)19-13/h7,9,11H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyBBTDOZUWFOGYNG-NSHDSACASA-N
MW349.82 g/mol
LogP2.96
Rot. Bonds3

About (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

(5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95777217) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID95777217
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name(5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)n1
InChIInChI=1S/C16H20ClN5O2/c1-9(2)15-20-14(21-24-15)11-5-4-6-22(8-11)16(23)13-12(17)7-18-10(3)19-13/h7,9,11H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyBBTDOZUWFOGYNG-NSHDSACASA-N
XLogP2.96
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47083749
1,3,4,5,7,8,9,9a-Octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 49222285
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 56821074
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56821165
1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 56821323
(5-Chloropyrimidin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 72104418
(5-Chloro-2-methylpyrimidin-4-yl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72125336
(5-Chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927728
5-chloro-2-methyl-4-({4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)pyrimidine
CID 72920520
(3S)-1-[2-[butyl(methyl)amino]-5-chloropyrimidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 94657893
(4-methylpyrimidin-5-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 96495162
[(3S)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 164641251

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 95777217) is (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1ncc(Cl)c(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)n1.
What is the InChIKey of (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BBTDOZUWFOGYNG-NSHDSACASA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-9(2)15-20-14(21-24-15)11-5-4-6-22(8-11)16(23)13-12(17)7-18-10(3)19-13/h7,9,11H,4-6,8H2,1-3H3/t11-/m0/s1.
What are the key properties of (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 349.82 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpyrimidin-4-yl)-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95777217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).