[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C16H18ClN3O2 — CID 119540304

IUPAC[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C16H18ClN3O2/c1-18-9-11-5-6-20(10-11)16(21)15-8-14(19-22-15)12-3-2-4-13(17)7-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3
InChIKeyUUAIJIADEUJXOK-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.68
Rot. Bonds4

About [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119540304) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119540304
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1
InChIInChI=1S/C16H18ClN3O2/c1-18-9-11-5-6-20(10-11)16(21)15-8-14(19-22-15)12-3-2-4-13(17)7-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3
InChIKeyUUAIJIADEUJXOK-UHFFFAOYSA-N
XLogP2.68
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703485
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578421
N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480725
[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 119594663
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613032
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 60956875
(3S)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695570
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540653
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538857
[4-(methylamino)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119563333

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119540304) is [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1.
What is the InChIKey of [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UUAIJIADEUJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-18-9-11-5-6-20(10-11)16(21)15-8-14(19-22-15)12-3-2-4-13(17)7-12/h2-4,7-8,11,18H,5-6,9-10H2,1H3.
What are the key properties of [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 319.79 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119540304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).