[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid

C14H9F2N3O4 — CID 23019397

IUPAC[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid
SMILESO=C(O)N(Cc1cc(-c2ccc(F)c(F)c2)no1)c1ccon1
InChIInChI=1S/C14H9F2N3O4/c15-10-2-1-8(5-11(10)16)12-6-9(23-17-12)7-19(14(20)21)13-3-4-22-18-13/h1-6H,7H2,(H,20,21)
InChIKeyOGDRYPXLUSTBQI-UHFFFAOYSA-N
MW321.24 g/mol
LogP3.29
Rot. Bonds4

About [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid

[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid (PubChem CID 23019397) has the molecular formula C14H9F2N3O4 and a molecular weight of 321.24 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid
PubChem CID23019397
Molecular FormulaC14H9F2N3O4
Molecular Weight321.24 g/mol
Exact Mass321.06
IUPAC Name[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid
SMILESO=C(O)N(Cc1cc(-c2ccc(F)c(F)c2)no1)c1ccon1
InChIInChI=1S/C14H9F2N3O4/c15-10-2-1-8(5-11(10)16)12-6-9(23-17-12)7-19(14(20)21)13-3-4-22-18-13/h1-6H,7H2,(H,20,21)
InChIKeyOGDRYPXLUSTBQI-UHFFFAOYSA-N
XLogP3.29
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid?
The IUPAC name of [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid (CID 23019397) is [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid.
What is the SMILES notation for [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid?
The canonical SMILES for [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid is O=C(O)N(Cc1cc(-c2ccc(F)c(F)c2)no1)c1ccon1.
What is the InChIKey of [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid?
The InChIKey is OGDRYPXLUSTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O4/c15-10-2-1-8(5-11(10)16)12-6-9(23-17-12)7-19(14(20)21)13-3-4-22-18-13/h1-6H,7H2,(H,20,21).
What are the key properties of [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid?
[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid has a molecular weight of 321.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid is sourced from PubChem (CID 23019397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).