2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide

C18H15ClFN3O2 — CID 70729595

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H15ClFN3O2/c1-23(18(24)10-14-15(19)3-2-4-16(14)20)11-13-9-17(22-25-13)12-5-7-21-8-6-12/h2-9H,10-11H2,1H3
InChIKeyQFWCQDDLXYCPHU-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.73
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 70729595) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID70729595
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H15ClFN3O2/c1-23(18(24)10-14-15(19)3-2-4-16(14)20)11-13-9-17(22-25-13)12-5-7-21-8-6-12/h2-9H,10-11H2,1H3
InChIKeyQFWCQDDLXYCPHU-UHFFFAOYSA-N
XLogP3.73
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

2-[3-(2,4-Dichlorophenyl)-5-isoxazolyl]pyridine
CID 2726998
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
Cambridge id 6131393
CID 702091
3-(2-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 749183
[3-(2,6-Dichlorophenyl)-4-isoxazolyl](2-pyridinyl)methanone
CID 1474304
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]({[(1E)-1-(pyridin-4-yl)ethylidene]amino}oxy)methanone
CID 5446268
3-(2-chloro-6-fluorophenyl)-6-(3,5-difluoropyridin-2-yl)-5-methylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 42601151
[2-[6-(3-Chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56670439
[2-[6-(3-Chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56683902
N,5-dimethyl-3-phenyl-N-[2-(2-pyridinyl)ethyl]-4-isoxazolecarboxamide
CID 2814675
3-(2-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 626045

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 70729595) is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide is CN(Cc1cc(-c2ccncc2)no1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is QFWCQDDLXYCPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-23(18(24)10-14-15(19)3-2-4-16(14)20)11-13-9-17(22-25-13)12-5-7-21-8-6-12/h2-9H,10-11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 359.79 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 70729595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).