[(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone

C17H21ClN2O3 — CID 26356640

IUPAC[(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCCN(C(=O)[C@H]2CC(Cc3cccc(Cl)c3)=NO2)C1
InChIInChI=1S/C17H21ClN2O3/c1-22-15-6-3-7-20(11-15)17(21)16-10-14(19-23-16)9-12-4-2-5-13(18)8-12/h2,4-5,8,15-16H,3,6-7,9-11H2,1H3/t15-,16+/m0/s1
InChIKeyGDJZRLZEPOAGFU-JKSUJKDBSA-N
MW336.82 g/mol
LogP2.66
Rot. Bonds4

About [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone

[(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone (PubChem CID 26356640) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
PubChem CID26356640
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name[(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCCN(C(=O)[C@H]2CC(Cc3cccc(Cl)c3)=NO2)C1
InChIInChI=1S/C17H21ClN2O3/c1-22-15-6-3-7-20(11-15)17(21)16-10-14(19-23-16)9-12-4-2-5-13(18)8-12/h2,4-5,8,15-16H,3,6-7,9-11H2,1H3/t15-,16+/m0/s1
InChIKeyGDJZRLZEPOAGFU-JKSUJKDBSA-N
XLogP2.66
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 26357161
[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 45179390
[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-[(5R)-3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 25327682
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
(5R)-3-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42366800
[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 118758750
(5R)-3-[(3-chlorophenyl)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42500129
azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 45233150
[1-[(5S)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42467929
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(5S)-3-[(3-chlorophenyl)methyl]-N-[(2-phenyltriazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 25294325
3-[(3-chlorophenyl)methyl]-N-[(2-phenyltriazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45235678

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The IUPAC name of [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone (CID 26356640) is [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The canonical SMILES for [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone is CO[C@H]1CCCN(C(=O)[C@H]2CC(Cc3cccc(Cl)c3)=NO2)C1.
What is the InChIKey of [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The InChIKey is GDJZRLZEPOAGFU-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-22-15-6-3-7-20(11-15)17(21)16-10-14(19-23-16)9-12-4-2-5-13(18)8-12/h2,4-5,8,15-16H,3,6-7,9-11H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
[(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone has a molecular weight of 336.82 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 26356640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).