(5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one

C18H14FN5O2 — CID 21309535

IUPAC(5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@@H]1CN(c2ccc(-n3ccc4ccccc43)c(F)c2)C(=O)O1
InChIInChI=1S/C18H14FN5O2/c19-15-9-13(24-11-14(10-21-22-20)26-18(24)25)5-6-17(15)23-8-7-12-3-1-2-4-16(12)23/h1-9,14H,10-11H2/t14-/m1/s1
InChIKeySBGIVOCRFORXTD-CQSZACIVSA-N
MW351.34 g/mol
LogP4.41
Rot. Bonds4

About (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one

(5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 21309535) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID21309535
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name(5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@@H]1CN(c2ccc(-n3ccc4ccccc43)c(F)c2)C(=O)O1
InChIInChI=1S/C18H14FN5O2/c19-15-9-13(24-11-14(10-21-22-20)26-18(24)25)5-6-17(15)23-8-7-12-3-1-2-4-16(12)23/h1-9,14H,10-11H2/t14-/m1/s1
InChIKeySBGIVOCRFORXTD-CQSZACIVSA-N
XLogP4.41
TPSA83.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58619742
5-(azidomethyl)-3-[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 139776509
(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-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58697735
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625
5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 14011262
(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59591365
5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 86648044
(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 139799634
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18378824

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one (CID 21309535) is (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@@H]1CN(c2ccc(-n3ccc4ccccc43)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is SBGIVOCRFORXTD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14FN5O2/c19-15-9-13(24-11-14(10-21-22-20)26-18(24)25)5-6-17(15)23-8-7-12-3-1-2-4-16(12)23/h1-9,14H,10-11H2/t14-/m1/s1.
What are the key properties of (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 351.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 21309535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).