3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one

C16H21ClN4O2 — CID 97128469

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCCC[C@@H]1CCn1ccnc1
InChIInChI=1S/C16H21ClN4O2/c17-15-11-14(23-19-15)4-5-16(22)21-8-2-1-3-13(21)6-9-20-10-7-18-12-20/h7,10-13H,1-6,8-9H2/t13-/m1/s1
InChIKeyFWUMOZHPOSDFEV-CYBMUJFWSA-N
MW336.82 g/mol
LogP2.93
Rot. Bonds6

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one (PubChem CID 97128469) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one
PubChem CID97128469
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCCC[C@@H]1CCn1ccnc1
InChIInChI=1S/C16H21ClN4O2/c17-15-11-14(23-19-15)4-5-16(22)21-8-2-1-3-13(21)6-9-20-10-7-18-12-20/h7,10-13H,1-6,8-9H2/t13-/m1/s1
InChIKeyFWUMOZHPOSDFEV-CYBMUJFWSA-N
XLogP2.93
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 70740922
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylpropan-1-one;1-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 67753486
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 166316412
1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 96571230
(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126435717
2-(4-acetylphenoxy)-1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]ethanone
CID 96572781
1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42289097
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124986328
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138810233
3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484917

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one (CID 97128469) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one is O=C(CCc1cc(Cl)no1)N1CCCC[C@@H]1CCn1ccnc1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is FWUMOZHPOSDFEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c17-15-11-14(23-19-15)4-5-16(22)21-8-2-1-3-13(21)6-9-20-10-7-18-12-20/h7,10-13H,1-6,8-9H2/t13-/m1/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 336.82 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97128469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).