5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one

C17H16ClN3O5 — CID 24840850

IUPAC5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(OCc3cc(Cl)cc([N+](=O)[O-])c3)cc2)C(=O)O1
InChIInChI=1S/C17H16ClN3O5/c18-12-5-11(6-14(7-12)21(23)24)10-25-15-3-1-13(2-4-15)20-9-16(8-19)26-17(20)22/h1-7,16H,8-10,19H2
InChIKeyNZRTYBYMBFRGBW-UHFFFAOYSA-N
MW377.78 g/mol
LogP3.11
Rot. Bonds6

About 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 24840850) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID24840850
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC Name5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(OCc3cc(Cl)cc([N+](=O)[O-])c3)cc2)C(=O)O1
InChIInChI=1S/C17H16ClN3O5/c18-12-5-11(6-14(7-12)21(23)24)10-25-15-3-1-13(2-4-15)20-9-16(8-19)26-17(20)22/h1-7,16H,8-10,19H2
InChIKeyNZRTYBYMBFRGBW-UHFFFAOYSA-N
XLogP3.11
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one (CID 24840850) is 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one is NCC1CN(c2ccc(OCc3cc(Cl)cc([N+](=O)[O-])c3)cc2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NZRTYBYMBFRGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5/c18-12-5-11(6-14(7-12)21(23)24)10-25-15-3-1-13(2-4-15)20-9-16(8-19)26-17(20)22/h1-7,16H,8-10,19H2.
What are the key properties of 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 377.78 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[4-[(3-chloro-5-nitrophenyl)methoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24840850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).