1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid

C16H17BrN2O3 — CID 119907746

IUPAC1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1
InChIInChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)14-9-18-15(22-14)10-19-7-5-11(6-8-19)16(20)21/h1-4,9,11H,5-8,10H2,(H,20,21)
InChIKeyMZDHNZLLZVVDJT-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.40
Rot. Bonds4

About 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid

1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 119907746) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID119907746
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1
InChIInChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)14-9-18-15(22-14)10-19-7-5-11(6-8-19)16(20)21/h1-4,9,11H,5-8,10H2,(H,20,21)
InChIKeyMZDHNZLLZVVDJT-UHFFFAOYSA-N
XLogP3.40
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111462016
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907505
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
[5-(2-bromophenyl)-1,3-oxazol-2-yl]methanol
CID 115047212
5-bromo-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyridin-2-one
CID 71873594
5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole
CID 126791858
1-(3-aminopyrrolidin-1-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119482722
1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 65056412
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 18089162
1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 124593535

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid (CID 119907746) is 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1.
What is the InChIKey of 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is MZDHNZLLZVVDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c17-13-4-2-1-3-12(13)14-9-18-15(22-14)10-19-7-5-11(6-8-19)16(20)21/h1-4,9,11H,5-8,10H2,(H,20,21).
What are the key properties of 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 365.23 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).