[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone

C20H19ClFN3O3 — CID 134503162

IUPAC[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
SMILESCOc1c(F)cccc1C(=O)N1CCCC(Nc2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C20H19ClFN3O3/c1-27-18-14(5-2-6-15(18)22)19(26)25-9-3-4-13(11-25)23-20-24-16-10-12(21)7-8-17(16)28-20/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,23,24)
InChIKeyFZHMEVYKUJKROD-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.35
Rot. Bonds4

About [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone

[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone (PubChem CID 134503162) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
PubChem CID134503162
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC Name[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
SMILESCOc1c(F)cccc1C(=O)N1CCCC(Nc2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C20H19ClFN3O3/c1-27-18-14(5-2-6-15(18)22)19(26)25-9-3-4-13(11-25)23-20-24-16-10-12(21)7-8-17(16)28-20/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,23,24)
InChIKeyFZHMEVYKUJKROD-UHFFFAOYSA-N
XLogP4.35
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone 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

[(2S,3R)-3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-methylpiperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
CID 86271495
[3-[(6-chloro-1,3-benzoxazol-2-yl)amino]pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 68971812
[(3R)-3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 126746495
[(2R,3S)-3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 90404684
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484
[(3R)-3-[(6,7-difluoro-1,3-benzoxazol-2-yl)amino]pyrrolidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 42642180
[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90405506
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178
[3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 134503214
[(3R)-3-[(6-chloro-1,3-benzoxazol-2-yl)amino]pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 42641843
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone (CID 134503162) is [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone is COc1c(F)cccc1C(=O)N1CCCC(Nc2nc3cc(Cl)ccc3o2)C1.
What is the InChIKey of [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone?
The InChIKey is FZHMEVYKUJKROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-27-18-14(5-2-6-15(18)22)19(26)25-9-3-4-13(11-25)23-20-24-16-10-12(21)7-8-17(16)28-20/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,23,24).
What are the key properties of [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone?
[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone has a molecular weight of 403.84 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 134503162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).