2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

C16H19ClN4O2 — CID 56819155

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)CN(C)c2ccc(Cl)cn2)on1
InChIInChI=1S/C16H19ClN4O2/c1-11-8-14(23-19-11)13-4-3-7-21(13)16(22)10-20(2)15-6-5-12(17)9-18-15/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyFBKPFIOLXVJINK-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.83
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 56819155) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID56819155
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)CN(C)c2ccc(Cl)cn2)on1
InChIInChI=1S/C16H19ClN4O2/c1-11-8-14(23-19-11)13-4-3-7-21(13)16(22)10-20(2)15-6-5-12(17)9-18-15/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyFBKPFIOLXVJINK-UHFFFAOYSA-N
XLogP2.83
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 94488414
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95315279
methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate
CID 43623806
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 94397674
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 94397675
[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 94488343
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 53017109
2-(cyclopentylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963976
6-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]hexan-1-one
CID 54873356
7-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]heptan-1-one
CID 60962901
2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 62113566

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 56819155) is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1cc(C2CCCN2C(=O)CN(C)c2ccc(Cl)cn2)on1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is FBKPFIOLXVJINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-8-14(23-19-11)13-4-3-7-21(13)16(22)10-20(2)15-6-5-12(17)9-18-15/h5-6,8-9,13H,3-4,7,10H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 334.81 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56819155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).