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

C17H19ClFN3O3 — CID 118289480

IUPAC2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ncoc1C(CNC(=O)c1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C17H19ClFN3O3/c1-11-16(25-10-21-11)14(22-5-7-24-8-6-22)9-20-17(23)15-12(18)3-2-4-13(15)19/h2-4,10,14H,5-9H2,1H3,(H,20,23)
InChIKeyBHCTUYSOHUNNRA-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.58
Rot. Bonds5

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

2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 118289480) has the molecular formula C17H19ClFN3O3 and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID118289480
Molecular FormulaC17H19ClFN3O3
Molecular Weight367.81 g/mol
Exact Mass367.11
IUPAC Name2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ncoc1C(CNC(=O)c1c(F)cccc1Cl)N1CCOCC1
InChIInChI=1S/C17H19ClFN3O3/c1-11-16(25-10-21-11)14(22-5-7-24-8-6-22)9-20-17(23)15-12(18)3-2-4-13(15)19/h2-4,10,14H,5-9H2,1H3,(H,20,23)
InChIKeyBHCTUYSOHUNNRA-UHFFFAOYSA-N
XLogP2.58
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.58
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-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide (CID 118289480) is 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide is Cc1ncoc1C(CNC(=O)c1c(F)cccc1Cl)N1CCOCC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is BHCTUYSOHUNNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O3/c1-11-16(25-10-21-11)14(22-5-7-24-8-6-22)9-20-17(23)15-12(18)3-2-4-13(15)19/h2-4,10,14H,5-9H2,1H3,(H,20,23).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 367.81 g/mol, XLogP of 2.58, 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-(4-methyl-1,3-oxazol-5-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 118289480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).