N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide

C15H17FN2O3 — CID 45186413

IUPACN-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2O3/c1-3-10(2)17-15(19)13-8-21-14(18-13)9-20-12-6-4-5-11(16)7-12/h4-8,10H,3,9H2,1-2H3,(H,17,19)
InChIKeyJAGZWUBJYGPFBJ-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.92
Rot. Bonds6

About N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide

N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 45186413) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
PubChem CID45186413
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2O3/c1-3-10(2)17-15(19)13-8-21-14(18-13)9-20-12-6-4-5-11(16)7-12/h4-8,10H,3,9H2,1-2H3,(H,17,19)
InChIKeyJAGZWUBJYGPFBJ-UHFFFAOYSA-N
XLogP2.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide (CID 45186413) is N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide is CCC(C)NC(=O)c1coc(COc2cccc(F)c2)n1.
What is the InChIKey of N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JAGZWUBJYGPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-3-10(2)17-15(19)13-8-21-14(18-13)9-20-12-6-4-5-11(16)7-12/h4-8,10H,3,9H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45186413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).