[2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid

C16H14FN3O4 — CID 22448774

IUPAC[2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid
SMILESNc1cc(-c2ccc(F)cc2)c(N2CCOC2=O)cc1NC(=O)O
InChIInChI=1S/C16H14FN3O4/c17-10-3-1-9(2-4-10)11-7-12(18)13(19-15(21)22)8-14(11)20-5-6-24-16(20)23/h1-4,7-8,19H,5-6,18H2,(H,21,22)
InChIKeyKKZNAWJISXCGEP-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.12
Rot. Bonds3

About [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid

[2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid (PubChem CID 22448774) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid
PubChem CID22448774
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name[2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid
SMILESNc1cc(-c2ccc(F)cc2)c(N2CCOC2=O)cc1NC(=O)O
InChIInChI=1S/C16H14FN3O4/c17-10-3-1-9(2-4-10)11-7-12(18)13(19-15(21)22)8-14(11)20-5-6-24-16(20)23/h1-4,7-8,19H,5-6,18H2,(H,21,22)
InChIKeyKKZNAWJISXCGEP-UHFFFAOYSA-N
XLogP3.12
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid?
The IUPAC name of [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid (CID 22448774) is [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid is Nc1cc(-c2ccc(F)cc2)c(N2CCOC2=O)cc1NC(=O)O.
What is the InChIKey of [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid?
The InChIKey is KKZNAWJISXCGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c17-10-3-1-9(2-4-10)11-7-12(18)13(19-15(21)22)8-14(11)20-5-6-24-16(20)23/h1-4,7-8,19H,5-6,18H2,(H,21,22).
What are the key properties of [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid?
[2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid has a molecular weight of 331.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamic acid is sourced from PubChem (CID 22448774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).