2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid

C18H21ClN2O4 — CID 77096165

IUPAC2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCc1cc(C2CCCCN2Cc2cc(Cl)ccc2OCC(=O)O)no1
InChIInChI=1S/C18H21ClN2O4/c1-12-8-15(20-25-12)16-4-2-3-7-21(16)10-13-9-14(19)5-6-17(13)24-11-18(22)23/h5-6,8-9,16H,2-4,7,10-11H2,1H3,(H,22,23)
InChIKeyGSEJGFNXYNEPLD-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid

2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 77096165) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID77096165
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCc1cc(C2CCCCN2Cc2cc(Cl)ccc2OCC(=O)O)no1
InChIInChI=1S/C18H21ClN2O4/c1-12-8-15(20-25-12)16-4-2-3-7-21(16)10-13-9-14(19)5-6-17(13)24-11-18(22)23/h5-6,8-9,16H,2-4,7,10-11H2,1H3,(H,22,23)
InChIKeyGSEJGFNXYNEPLD-UHFFFAOYSA-N
XLogP3.83
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-2-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99928177
N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124754090
2-[2-ethoxy-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 50809493
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 99932525
methyl 4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]benzoate
CID 50809341
2-ethoxy-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 50809609
2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 97131335
5-methyl-3-[1-[(4-propan-2-yloxyphenyl)methyl]azepan-2-yl]-1,2-oxazole
CID 110220454
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
2-[4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methyl]phenoxy]acetic acid
CID 110219909
4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
CID 91839674

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid (CID 77096165) is 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid is Cc1cc(C2CCCCN2Cc2cc(Cl)ccc2OCC(=O)O)no1.
What is the InChIKey of 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is GSEJGFNXYNEPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-12-8-15(20-25-12)16-4-2-3-7-21(16)10-13-9-14(19)5-6-17(13)24-11-18(22)23/h5-6,8-9,16H,2-4,7,10-11H2,1H3,(H,22,23).
What are the key properties of 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 364.83 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 77096165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).