3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one

C16H14FNO3 — CID 62300563

IUPAC3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(O)c3ccccc3F)ccc21
InChIInChI=1S/C16H14FNO3/c1-2-18-13-8-7-10(9-14(13)21-16(18)20)15(19)11-5-3-4-6-12(11)17/h3-9,15,19H,2H2,1H3
InChIKeyMROARSPTRHJLAY-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.84
Rot. Bonds3

About 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one

3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one (PubChem CID 62300563) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one
PubChem CID62300563
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(O)c3ccccc3F)ccc21
InChIInChI=1S/C16H14FNO3/c1-2-18-13-8-7-10(9-14(13)21-16(18)20)15(19)11-5-3-4-6-12(11)17/h3-9,15,19H,2H2,1H3
InChIKeyMROARSPTRHJLAY-UHFFFAOYSA-N
XLogP2.84
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one (CID 62300563) is 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(O)c3ccccc3F)ccc21.
What is the InChIKey of 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one?
The InChIKey is MROARSPTRHJLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-2-18-13-8-7-10(9-14(13)21-16(18)20)15(19)11-5-3-4-6-12(11)17/h3-9,15,19H,2H2,1H3.
What are the key properties of 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one?
3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[(2-fluorophenyl)-hydroxymethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 62300563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).