2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide

C16H17ClFN3O3 — CID 118289481

IUPAC2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide
SMILESO=C(NCC(c1cnco1)N1CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN3O3/c17-11-2-1-3-12(18)15(11)16(22)20-8-13(14-9-19-10-24-14)21-4-6-23-7-5-21/h1-3,9-10,13H,4-8H2,(H,20,22)
InChIKeyNYNFIJFFHAOZGB-UHFFFAOYSA-N
MW353.78 g/mol
LogP2.27
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide (PubChem CID 118289481) has the molecular formula C16H17ClFN3O3 and a molecular weight of 353.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide
PubChem CID118289481
Molecular FormulaC16H17ClFN3O3
Molecular Weight353.78 g/mol
Exact Mass353.09
IUPAC Name2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide
SMILESO=C(NCC(c1cnco1)N1CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN3O3/c17-11-2-1-3-12(18)15(11)16(22)20-8-13(14-9-19-10-24-14)21-4-6-23-7-5-21/h1-3,9-10,13H,4-8H2,(H,20,22)
InChIKeyNYNFIJFFHAOZGB-UHFFFAOYSA-N
XLogP2.27
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide (CID 118289481) is 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide is O=C(NCC(c1cnco1)N1CCOCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide?
The InChIKey is NYNFIJFFHAOZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O3/c17-11-2-1-3-12(18)15(11)16(22)20-8-13(14-9-19-10-24-14)21-4-6-23-7-5-21/h1-3,9-10,13H,4-8H2,(H,20,22).
What are the key properties of 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide has a molecular weight of 353.78 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-morpholin-4-yl-2-(1,3-oxazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 118289481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).