[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol

C17H14F2N2O3 — CID 139441367

IUPAC[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol
SMILESCOC(O)c1ccccc1-c1cnc(Nc2cc(F)ccc2F)o1
InChIInChI=1S/C17H14F2N2O3/c1-23-16(22)12-5-3-2-4-11(12)15-9-20-17(24-15)21-14-8-10(18)6-7-13(14)19/h2-9,16,22H,1H3,(H,20,21)
InChIKeyVZSPECCWIAUQTM-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.00
Rot. Bonds5

About [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol

[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol (PubChem CID 139441367) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol.

Molecular Properties

Compound Name[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol
PubChem CID139441367
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol
SMILESCOC(O)c1ccccc1-c1cnc(Nc2cc(F)ccc2F)o1
InChIInChI=1S/C17H14F2N2O3/c1-23-16(22)12-5-3-2-4-11(12)15-9-20-17(24-15)21-14-8-10(18)6-7-13(14)19/h2-9,16,22H,1H3,(H,20,21)
InChIKeyVZSPECCWIAUQTM-UHFFFAOYSA-N
XLogP4.00
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol?
The IUPAC name of [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol (CID 139441367) is [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol.
What is the SMILES notation for [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol?
The canonical SMILES for [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol is COC(O)c1ccccc1-c1cnc(Nc2cc(F)ccc2F)o1.
What is the InChIKey of [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol?
The InChIKey is VZSPECCWIAUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-23-16(22)12-5-3-2-4-11(12)15-9-20-17(24-15)21-14-8-10(18)6-7-13(14)19/h2-9,16,22H,1H3,(H,20,21).
What are the key properties of [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol?
[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol has a molecular weight of 332.31 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol is sourced from PubChem (CID 139441367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).