5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one

C20H19ClN2O5 — CID 11711113

IUPAC5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one
SMILESO=C(COc1ccc2oc(=O)[nH]c2c1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN2O5/c21-13-1-3-14(4-2-13)27-15-7-9-23(10-8-15)19(24)12-26-16-5-6-18-17(11-16)22-20(25)28-18/h1-6,11,15H,7-10,12H2,(H,22,25)
InChIKeyGMOZJMOAUQBVTQ-UHFFFAOYSA-N
MW402.83 g/mol
LogP3.22
Rot. Bonds5

About 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one

5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one (PubChem CID 11711113) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one
PubChem CID11711113
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one
SMILESO=C(COc1ccc2oc(=O)[nH]c2c1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN2O5/c21-13-1-3-14(4-2-13)27-15-7-9-23(10-8-15)19(24)12-26-16-5-6-18-17(11-16)22-20(25)28-18/h1-6,11,15H,7-10,12H2,(H,22,25)
InChIKeyGMOZJMOAUQBVTQ-UHFFFAOYSA-N
XLogP3.22
TPSA84.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361243
5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704
2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 90566368
2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 90941147
5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662247
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
2-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 122155046
2-(4-chlorophenoxy)-1-[4-(oxolan-3-yl)piperidin-1-yl]ethanone
CID 136530092
7-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 55866745
6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361367

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one (CID 11711113) is 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one is O=C(COc1ccc2oc(=O)[nH]c2c1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one?
The InChIKey is GMOZJMOAUQBVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c21-13-1-3-14(4-2-13)27-15-7-9-23(10-8-15)19(24)12-26-16-5-6-18-17(11-16)22-20(25)28-18/h1-6,11,15H,7-10,12H2,(H,22,25).
What are the key properties of 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one?
5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one has a molecular weight of 402.83 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 11711113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).