3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C13H15FN2O2 — CID 16681861

IUPAC3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C13H15FN2O2/c1-2-6-15-13(17)12-8-11(16-18-12)9-4-3-5-10(14)7-9/h3-5,7,12H,2,6,8H2,1H3,(H,15,17)
InChIKeyYWQTXVAGOJIIKM-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.84
Rot. Bonds4

About 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681861) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681861
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCNC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C13H15FN2O2/c1-2-6-15-13(17)12-8-11(16-18-12)9-4-3-5-10(14)7-9/h3-5,7,12H,2,6,8H2,1H3,(H,15,17)
InChIKeyYWQTXVAGOJIIKM-UHFFFAOYSA-N
XLogP1.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681861) is 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCNC(=O)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YWQTXVAGOJIIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-6-15-13(17)12-8-11(16-18-12)9-4-3-5-10(14)7-9/h3-5,7,12H,2,6,8H2,1H3,(H,15,17).
What are the key properties of 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).