(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one

C13H11N5O3 — CID 86604589

IUPAC(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccc(-c3ccon3)cc2)C(=O)O1
InChIInChI=1S/C13H11N5O3/c14-17-15-7-11-8-18(13(19)21-11)10-3-1-9(2-4-10)12-5-6-20-16-12/h1-6,11H,7-8H2/t11-/m0/s1
InChIKeyKLXSFKZIFUJYRM-NSHDSACASA-N
MW285.26 g/mol
LogP2.98
Rot. Bonds4

About (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 86604589) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID86604589
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccc(-c3ccon3)cc2)C(=O)O1
InChIInChI=1S/C13H11N5O3/c14-17-15-7-11-8-18(13(19)21-11)10-3-1-9(2-4-10)12-5-6-20-16-12/h1-6,11H,7-8H2/t11-/m0/s1
InChIKeyKLXSFKZIFUJYRM-NSHDSACASA-N
XLogP2.98
TPSA104.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Launch Full Analysis

Related Compounds

5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625
5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 14011262
5-(azidomethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 14011248
5-(azidomethyl)-3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 15813590
(5S)-5-(azidomethyl)-3-[4-(3-fluoro-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 86591695
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 58681137
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
(5S)-3-[4-(2-azidoethyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 59667582
5-(azidomethyl)-3-(6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-3-yl)-1,3-oxazolidin-2-one
CID 72636944
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 71548966
(5R)-5-(azidomethyl)-3-(1,2-dihydropyrazin-6-yl)-1,3-oxazolidin-2-one
CID 175054795

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one (CID 86604589) is (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(c2ccc(-c3ccon3)cc2)C(=O)O1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KLXSFKZIFUJYRM-NSHDSACASA-N. The full InChI is InChI=1S/C13H11N5O3/c14-17-15-7-11-8-18(13(19)21-11)10-3-1-9(2-4-10)12-5-6-20-16-12/h1-6,11H,7-8H2/t11-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 285.26 g/mol, XLogP of 2.98, 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-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86604589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).