N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide

C21H21ClFN3O3 — CID 139409558

IUPACN-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12
InChIInChI=1S/C21H21ClFN3O3/c22-16-8-7-15(23)11-14(16)13-28-17-5-4-6-18-20(17)21(25-29-18)24-19(27)12-26-9-2-1-3-10-26/h4-8,11H,1-3,9-10,12-13H2,(H,24,25,27)
InChIKeyLURGPRXFYVPTTB-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.62
Rot. Bonds6

About N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide

N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide (PubChem CID 139409558) has the molecular formula C21H21ClFN3O3 and a molecular weight of 417.87 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide
PubChem CID139409558
Molecular FormulaC21H21ClFN3O3
Molecular Weight417.87 g/mol
Exact Mass417.13
IUPAC NameN-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12
InChIInChI=1S/C21H21ClFN3O3/c22-16-8-7-15(23)11-14(16)13-28-17-5-4-6-18-20(17)21(25-29-18)24-19(27)12-26-9-2-1-3-10-26/h4-8,11H,1-3,9-10,12-13H2,(H,24,25,27)
InChIKeyLURGPRXFYVPTTB-UHFFFAOYSA-N
XLogP4.62
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149224
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 22194502
potassium;4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-amine;2-[(2-chloro-5-fluorophenyl)methoxy]-6-fluorobenzonitrile;deuterio(fluoro)methane;N-hydroxyacetamide;2-methylpropan-2-olate
CID 161000669
3-(2-chloro-4-fluorophenoxy)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 55778319
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195587
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 22194497
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide (CID 139409558) is N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1noc2cccc(OCc3cc(F)ccc3Cl)c12.
What is the InChIKey of N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide?
The InChIKey is LURGPRXFYVPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O3/c22-16-8-7-15(23)11-14(16)13-28-17-5-4-6-18-20(17)21(25-29-18)24-19(27)12-26-9-2-1-3-10-26/h4-8,11H,1-3,9-10,12-13H2,(H,24,25,27).
What are the key properties of N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide?
N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide has a molecular weight of 417.87 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-5-fluorophenyl)methoxy]-1,2-benzoxazol-3-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 139409558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).