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

C14H17FN2O2 — CID 16681945

IUPACN-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCCNC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C14H17FN2O2/c1-2-3-7-16-14(18)13-9-12(17-19-13)10-5-4-6-11(15)8-10/h4-6,8,13H,2-3,7,9H2,1H3,(H,16,18)
InChIKeyUFYYPIZYOXBEAN-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.23
Rot. Bonds5

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

N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 16681945) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID16681945
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCCNC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C14H17FN2O2/c1-2-3-7-16-14(18)13-9-12(17-19-13)10-5-4-6-11(15)8-10/h4-6,8,13H,2-3,7,9H2,1H3,(H,16,18)
InChIKeyUFYYPIZYOXBEAN-UHFFFAOYSA-N
XLogP2.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 16681945) is N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCCNC(=O)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UFYYPIZYOXBEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-3-7-16-14(18)13-9-12(17-19-13)10-5-4-6-11(15)8-10/h4-6,8,13H,2-3,7,9H2,1H3,(H,16,18).
What are the key properties of N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16681945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).