(5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

C14H16FN5O3 — CID 10519785

IUPAC(5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1
InChIKeyFQUBFDDPWLBKIZ-NSHDSACASA-N
MW321.31 g/mol
LogP2.30
Rot. Bonds4

About (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 10519785) has the molecular formula C14H16FN5O3 and a molecular weight of 321.31 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID10519785
Molecular FormulaC14H16FN5O3
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name(5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1
InChIKeyFQUBFDDPWLBKIZ-NSHDSACASA-N
XLogP2.30
TPSA90.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (CID 10519785) is (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FQUBFDDPWLBKIZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 321.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10519785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).