1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate

C16H10FN3O6 — CID 118387688

IUPAC1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate
SMILESO=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)Oc1ccno1
InChIInChI=1S/C16H10FN3O6/c17-10-1-3-13(4-2-10)24-14-8-11(7-12(9-14)20(22)23)19-16(21)25-15-5-6-18-26-15/h1-9H,(H,19,21)
InChIKeySZAGXYHFPJIJBA-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.13
Rot. Bonds5

About 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate

1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate (PubChem CID 118387688) has the molecular formula C16H10FN3O6 and a molecular weight of 359.27 g/mol. Its IUPAC name is 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate.

Molecular Properties

Compound Name1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate
PubChem CID118387688
Molecular FormulaC16H10FN3O6
Molecular Weight359.27 g/mol
Exact Mass359.06
IUPAC Name1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate
SMILESO=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)Oc1ccno1
InChIInChI=1S/C16H10FN3O6/c17-10-1-3-13(4-2-10)24-14-8-11(7-12(9-14)20(22)23)19-16(21)25-15-5-6-18-26-15/h1-9H,(H,19,21)
InChIKeySZAGXYHFPJIJBA-UHFFFAOYSA-N
XLogP4.13
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate?
The IUPAC name of 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate (CID 118387688) is 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate.
What is the SMILES notation for 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate?
The canonical SMILES for 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate is O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)Oc1ccno1.
What is the InChIKey of 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate?
The InChIKey is SZAGXYHFPJIJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O6/c17-10-1-3-13(4-2-10)24-14-8-11(7-12(9-14)20(22)23)19-16(21)25-15-5-6-18-26-15/h1-9H,(H,19,21).
What are the key properties of 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate?
1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate has a molecular weight of 359.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl N-[3-(4-fluorophenoxy)-5-nitrophenyl]carbamate is sourced from PubChem (CID 118387688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).