2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide

C18H24FN3O2 — CID 87015036

IUPAC2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H24FN3O2/c1-3-9-20-17(23)12-22(10-4-2)11-16-13-24-18(21-16)14-5-7-15(19)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyRHXRMDUYZYQXDW-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.22
Rot. Bonds9

About 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide

2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide (PubChem CID 87015036) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide
PubChem CID87015036
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H24FN3O2/c1-3-9-20-17(23)12-22(10-4-2)11-16-13-24-18(21-16)14-5-7-15(19)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyRHXRMDUYZYQXDW-UHFFFAOYSA-N
XLogP3.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62021325
(2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide
CID 95323940
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 55544759
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103117
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664
2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
CID 60835152
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000027
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 38640450
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
4-amino-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxybutanamide;hydrochloride
CID 120591332
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111980664

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide (CID 87015036) is 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide?
The InChIKey is RHXRMDUYZYQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-3-9-20-17(23)12-22(10-4-2)11-16-13-24-18(21-16)14-5-7-15(19)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide?
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide has a molecular weight of 333.41 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide is sourced from PubChem (CID 87015036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).