2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile

C17H12FN5O4 — CID 70209131

IUPAC2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile
SMILESN#Cc1cnc(-c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)[nH]1
InChIInChI=1S/C17H12FN5O4/c18-14-5-11(1-2-13(14)16-20-7-10(6-19)21-16)23-8-12(27-17(23)24)9-25-15-3-4-26-22-15/h1-5,7,12H,8-9H2,(H,20,21)/t12-/m1/s1
InChIKeyIWAXKKKFFMRAPN-GFCCVEGCSA-N
MW369.31 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile

2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile (PubChem CID 70209131) has the molecular formula C17H12FN5O4 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile
PubChem CID70209131
Molecular FormulaC17H12FN5O4
Molecular Weight369.31 g/mol
Exact Mass369.09
IUPAC Name2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile
SMILESN#Cc1cnc(-c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)[nH]1
InChIInChI=1S/C17H12FN5O4/c18-14-5-11(1-2-13(14)16-20-7-10(6-19)21-16)23-8-12(27-17(23)24)9-25-15-3-4-26-22-15/h1-5,7,12H,8-9H2,(H,20,21)/t12-/m1/s1
InChIKeyIWAXKKKFFMRAPN-GFCCVEGCSA-N
XLogP2.48
TPSA117.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile with MolForge

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Related Compounds

(5R)-3-(3-fluoro-4-iodophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 11859040
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 22996047
(5R)-3-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57195364
(5R)-3-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356664
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356643
4-[4-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-N-methyl-4-oxobutanamide
CID 142648239
(5R)-3-(4-methylsulfonylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356674
3-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-imidazol-2-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70203307
(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 70202099
3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 57128428
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
(5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(4-bromo-3-fluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one;2-[[(5R)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one;1,2-oxazol-3-one
CID 159043765

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile (CID 70209131) is 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile is N#Cc1cnc(-c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)[nH]1.
What is the InChIKey of 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile?
The InChIKey is IWAXKKKFFMRAPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H12FN5O4/c18-14-5-11(1-2-13(14)16-20-7-10(6-19)21-16)23-8-12(27-17(23)24)9-25-15-3-4-26-22-15/h1-5,7,12H,8-9H2,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile?
2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile has a molecular weight of 369.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 70209131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).