2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide

C16H21FN2O2 — CID 123823558

IUPAC2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CC(c2ccc(C)cc2F)=NO1
InChIInChI=1S/C16H21FN2O2/c1-4-7-19(3)16(20)10-12-9-15(18-21-12)13-6-5-11(2)8-14(13)17/h5-6,8,12H,4,7,9-10H2,1-3H3
InChIKeyJKWDAISWSABVAD-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.89
Rot. Bonds5

About 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide

2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide (PubChem CID 123823558) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide
PubChem CID123823558
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CC(c2ccc(C)cc2F)=NO1
InChIInChI=1S/C16H21FN2O2/c1-4-7-19(3)16(20)10-12-9-15(18-21-12)13-6-5-11(2)8-14(13)17/h5-6,8,12H,4,7,9-10H2,1-3H3
InChIKeyJKWDAISWSABVAD-UHFFFAOYSA-N
XLogP2.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide (CID 123823558) is 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)CC1CC(c2ccc(C)cc2F)=NO1.
What is the InChIKey of 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide?
The InChIKey is JKWDAISWSABVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-7-19(3)16(20)10-12-9-15(18-21-12)13-6-5-11(2)8-14(13)17/h5-6,8,12H,4,7,9-10H2,1-3H3.
What are the key properties of 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide?
2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide has a molecular weight of 292.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 123823558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).