N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H15FN2O2 — CID 3244894

IUPACN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc2c1CCCC2
InChIInChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)9-17-15(19)14-12-3-1-2-4-13(12)20-18-14/h5-8H,1-4,9H2,(H,17,19)
InChIKeyJURKZJCWAUOORJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.62
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 3244894) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID3244894
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc2c1CCCC2
InChIInChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)9-17-15(19)14-12-3-1-2-4-13(12)20-18-14/h5-8H,1-4,9H2,(H,17,19)
InChIKeyJURKZJCWAUOORJ-UHFFFAOYSA-N
XLogP2.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 3244894) is N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1noc2c1CCCC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is JURKZJCWAUOORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)9-17-15(19)14-12-3-1-2-4-13(12)20-18-14/h5-8H,1-4,9H2,(H,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 3244894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).