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

C15H19FN2O2 — CID 46137947

IUPACN-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H19FN2O2/c1-10(2)15(19)18(3)9-13-8-14(17-20-13)11-4-6-12(16)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKeyFLUVUNALRDOTDN-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.43
Rot. Bonds4

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

N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide (PubChem CID 46137947) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide
PubChem CID46137947
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H19FN2O2/c1-10(2)15(19)18(3)9-13-8-14(17-20-13)11-4-6-12(16)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKeyFLUVUNALRDOTDN-UHFFFAOYSA-N
XLogP2.43
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide (CID 46137947) is N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide?
The InChIKey is FLUVUNALRDOTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(2)15(19)18(3)9-13-8-14(17-20-13)11-4-6-12(16)7-5-11/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide?
N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide has a molecular weight of 278.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 46137947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).