(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone

C10H13ClN2O2 — CID 131007255

IUPAC(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC(C)C(Cl)C1
InChIInChI=1S/C10H13ClN2O2/c1-6-3-13(4-8(6)11)10(14)9-7(2)12-5-15-9/h5-6,8H,3-4H2,1-2H3
InChIKeyBISAIBGRSIJSAB-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.68
Rot. Bonds1

About (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone

(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 131007255) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID131007255
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC(C)C(Cl)C1
InChIInChI=1S/C10H13ClN2O2/c1-6-3-13(4-8(6)11)10(14)9-7(2)12-5-15-9/h5-6,8H,3-4H2,1-2H3
InChIKeyBISAIBGRSIJSAB-UHFFFAOYSA-N
XLogP1.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 59361676
[(3aS,9aR)-5,8-difluoro-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrol-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 128892695
N-[(3R,4R)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 110133085
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 112627373
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119518888
[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119594797
4-methyl-1,3-oxazole-5-carbonyl chloride
CID 2795217
(3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 131007244
(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024608
(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 79506581
1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81367808

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone (CID 131007255) is (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CC(C)C(Cl)C1.
What is the InChIKey of (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is BISAIBGRSIJSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-3-13(4-8(6)11)10(14)9-7(2)12-5-15-9/h5-6,8H,3-4H2,1-2H3.
What are the key properties of (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 228.68 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 131007255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).