2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol

C16H16N2O5 — CID 2849771

IUPAC2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol
SMILESCOc1cc(C2NCC(c3ccc([N+](=O)[O-])cc3)O2)ccc1O
InChIInChI=1S/C16H16N2O5/c1-22-14-8-11(4-7-13(14)19)16-17-9-15(23-16)10-2-5-12(6-3-10)18(20)21/h2-8,15-17,19H,9H2,1H3
InChIKeyMGHHNWNXFHDEBT-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.67
Rot. Bonds4

About 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol

2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol (PubChem CID 2849771) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol
PubChem CID2849771
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol
SMILESCOc1cc(C2NCC(c3ccc([N+](=O)[O-])cc3)O2)ccc1O
InChIInChI=1S/C16H16N2O5/c1-22-14-8-11(4-7-13(14)19)16-17-9-15(23-16)10-2-5-12(6-3-10)18(20)21/h2-8,15-17,19H,9H2,1H3
InChIKeyMGHHNWNXFHDEBT-UHFFFAOYSA-N
XLogP2.67
TPSA93.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol (CID 2849771) is 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol is COc1cc(C2NCC(c3ccc([N+](=O)[O-])cc3)O2)ccc1O.
What is the InChIKey of 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol?
The InChIKey is MGHHNWNXFHDEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-14-8-11(4-7-13(14)19)16-17-9-15(23-16)10-2-5-12(6-3-10)18(20)21/h2-8,15-17,19H,9H2,1H3.
What are the key properties of 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol?
2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol has a molecular weight of 316.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]phenol is sourced from PubChem (CID 2849771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).