(6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C16H19ClN4O2 — CID 154759964

IUPAC(6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC2c2noc(C(C)C)n2)cnc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-9(2)15-19-14(20-23-15)12-5-4-6-21(12)16(22)11-7-10(3)13(17)18-8-11/h7-9,12H,4-6H2,1-3H3
InChIKeyNMWBJJRZNPALOK-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.53
Rot. Bonds3

About (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 154759964) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID154759964
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC2c2noc(C(C)C)n2)cnc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-9(2)15-19-14(20-23-15)12-5-4-6-21(12)16(22)11-7-10(3)13(17)18-8-11/h7-9,12H,4-6H2,1-3H3
InChIKeyNMWBJJRZNPALOK-UHFFFAOYSA-N
XLogP3.53
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345489
(2-fluoro-4-pyridinyl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345492
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 138034649
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
1H-imidazol-5-yl-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779553
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
(5-fluoro-1-benzofuran-7-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 136564169
5-chloro-6-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 95763138
N-(5-cyclopropyl-2-pyridinyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 136564260
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779584
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119767292
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779546

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 154759964) is (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC2c2noc(C(C)C)n2)cnc1Cl.
What is the InChIKey of (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NMWBJJRZNPALOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-9(2)15-19-14(20-23-15)12-5-4-6-21(12)16(22)11-7-10(3)13(17)18-8-11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 334.81 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-methyl-3-pyridinyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154759964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).