2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide

C19H17ClFN3O2 — CID 8846346

IUPAC2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H17ClFN3O2/c1-24(11-18(25)23-16-4-2-3-15(21)9-16)12-19-22-10-17(26-19)13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyQJGQEPIOGKIVMY-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.20
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide

2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 8846346) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID8846346
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H17ClFN3O2/c1-24(11-18(25)23-16-4-2-3-15(21)9-16)12-19-22-10-17(26-19)13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)
InChIKeyQJGQEPIOGKIVMY-UHFFFAOYSA-N
XLogP4.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-chlorophenyl)heptane
CID 16736447
2-(4-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259758
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-chlorophenyl)hept-6-yne
CID 16736615
7-(2-Chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16737009
7-(4-Chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16737010
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(1,3-oxazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10695395
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-[5-(4-Chlorophenyl)-1,3-Oxazol-2-Yl]benzamide
CID 13626914
7-[5-[4-(4-chlorophenyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxyheptanamide
CID 9952732
4-Chloro-N-(4-(5-oxazolyl)phenyl)benzamide
CID 2739168
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3238626

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (CID 8846346) is 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is CN(CC(=O)Nc1cccc(F)c1)Cc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is QJGQEPIOGKIVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-24(11-18(25)23-16-4-2-3-15(21)9-16)12-19-22-10-17(26-19)13-5-7-14(20)8-6-13/h2-10H,11-12H2,1H3,(H,23,25).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 373.82 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 8846346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).