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

C20H18ClFN2O2 — CID 51070428

IUPAC2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)c1ccccc1Cl
InChIInChI=1S/C20H18ClFN2O2/c1-2-11-24(20(25)17-5-3-4-6-18(17)21)13-16-12-19(26-23-16)14-7-9-15(22)10-8-14/h3-10,12H,2,11,13H2,1H3
InChIKeyTUWRYOHMFNSNCA-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.19
Rot. Bonds6

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

2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide (PubChem CID 51070428) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
PubChem CID51070428
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)c1ccccc1Cl
InChIInChI=1S/C20H18ClFN2O2/c1-2-11-24(20(25)17-5-3-4-6-18(17)21)13-16-12-19(26-23-16)14-7-9-15(22)10-8-14/h3-10,12H,2,11,13H2,1H3
InChIKeyTUWRYOHMFNSNCA-UHFFFAOYSA-N
XLogP5.19
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 83281968
3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea
CID 83281969
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070844
N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide
CID 51070319
4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070492
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
CID 16866881
3-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 16866948
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylacetamide
CID 16878802
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea
CID 42822588

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The IUPAC name of 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide (CID 51070428) is 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The canonical SMILES for 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide is CCCN(Cc1cc(-c2ccc(F)cc2)on1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The InChIKey is TUWRYOHMFNSNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-2-11-24(20(25)17-5-3-4-6-18(17)21)13-16-12-19(26-23-16)14-7-9-15(22)10-8-14/h3-10,12H,2,11,13H2,1H3.
What are the key properties of 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide has a molecular weight of 372.83 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 51070428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).