(5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

C15H18FN3O3 — CID 139064802

IUPAC(5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCOCC2)CN1/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3/c16-13-3-1-12(2-4-13)9-17-19-11-14(22-15(19)20)10-18-5-7-21-8-6-18/h1-4,9,14H,5-8,10-11H2/b17-9+/t14-/m0/s1
InChIKeyKBNVFLWXOMRUOK-VEJKBTLKSA-N
MW307.32 g/mol
LogP1.31
Rot. Bonds4

About (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

(5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 139064802) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID139064802
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name(5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CN2CCOCC2)CN1/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3/c16-13-3-1-12(2-4-13)9-17-19-11-14(22-15(19)20)10-18-5-7-21-8-6-18/h1-4,9,14H,5-8,10-11H2/b17-9+/t14-/m0/s1
InChIKeyKBNVFLWXOMRUOK-VEJKBTLKSA-N
XLogP1.31
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (CID 139064802) is (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CN2CCOCC2)CN1/N=C/c1ccc(F)cc1.
What is the InChIKey of (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is KBNVFLWXOMRUOK-VEJKBTLKSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-13-3-1-12(2-4-13)9-17-19-11-14(22-15(19)20)10-18-5-7-21-8-6-18/h1-4,9,14H,5-8,10-11H2/b17-9+/t14-/m0/s1.
What are the key properties of (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
(5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 307.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(E)-(4-fluorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139064802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).