(3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone

C9H11ClN2O2 — CID 131007244

IUPAC(3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCC1CN(C(=O)c2ccon2)CC1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6-4-12(5-7(6)10)9(13)8-2-3-14-11-8/h2-3,6-7H,4-5H2,1H3
InChIKeyWCPQZDDJMBAEBV-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.37
Rot. Bonds1

About (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone

(3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone (PubChem CID 131007244) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone
PubChem CID131007244
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCC1CN(C(=O)c2ccon2)CC1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6-4-12(5-7(6)10)9(13)8-2-3-14-11-8/h2-3,6-7H,4-5H2,1H3
InChIKeyWCPQZDDJMBAEBV-UHFFFAOYSA-N
XLogP1.37
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.37
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

benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl(1,2-oxazol-3-yl)methanone
CID 68602552
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715383
[(3R)-1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]urea
CID 177272408
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75432435
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 62671508

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The IUPAC name of (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone (CID 131007244) is (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone is CC1CN(C(=O)c2ccon2)CC1Cl.
What is the InChIKey of (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone?
The InChIKey is WCPQZDDJMBAEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6-4-12(5-7(6)10)9(13)8-2-3-14-11-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of (3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone?
(3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone has a molecular weight of 214.65 g/mol, XLogP of 1.37, 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)-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 131007244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).