[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C17H19ClN2O3 — CID 110886891

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C17H19ClN2O3/c1-11-15(17(22)20-8-4-5-12(9-20)10-21)16(19-23-11)13-6-2-3-7-14(13)18/h2-3,6-7,12,21H,4-5,8-10H2,1H3
InChIKeyBZRMJXGTPFDFAV-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.15
Rot. Bonds3

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110886891) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110886891
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C17H19ClN2O3/c1-11-15(17(22)20-8-4-5-12(9-20)10-21)16(19-23-11)13-6-2-3-7-14(13)18/h2-3,6-7,12,21H,4-5,8-10H2,1H3
InChIKeyBZRMJXGTPFDFAV-UHFFFAOYSA-N
XLogP3.15
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105782
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 78815860
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490813
ethyl (3S)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 1147643
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 119480892
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95225246
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164338
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9336636

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110886891) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is BZRMJXGTPFDFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-15(17(22)20-8-4-5-12(9-20)10-21)16(19-23-11)13-6-2-3-7-14(13)18/h2-3,6-7,12,21H,4-5,8-10H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 334.80 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110886891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).