(5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile

C23H25FN6O2 — CID 142987296

IUPAC(5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1[C@H]2CNC[C@@H]12.N/C=C\NC[C@H]1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN4O2.C6H8N2/c18-16-8-13(3-4-15(16)12-2-1-6-20-9-12)22-11-14(24-17(22)23)10-21-7-5-19;7-1-4-5-2-8-3-6(4)5/h1-9,14,21H,10-11,19H2;4-6,8H,2-3H2/b7-5-;/t14-;4?,5-,6+/m0./s1
InChIKeyMRNDKEPNHJXPGI-ZPQOLMDASA-N
MW436.49 g/mol
LogP2.21
Rot. Bonds5

About (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile

(5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 142987296) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID142987296
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name(5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1[C@H]2CNC[C@@H]12.N/C=C\NC[C@H]1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN4O2.C6H8N2/c18-16-8-13(3-4-15(16)12-2-1-6-20-9-12)22-11-14(24-17(22)23)10-21-7-5-19;7-1-4-5-2-8-3-6(4)5/h1-9,14,21H,10-11,19H2;4-6,8H,2-3H2/b7-5-;/t14-;4?,5-,6+/m0./s1
InChIKeyMRNDKEPNHJXPGI-ZPQOLMDASA-N
XLogP2.21
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile with MolForge

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Related Compounds

5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;tert-butyl 4-[2-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 142987358
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine
CID 142987301
2-amino-N-[[4-[2-fluoro-4-[(5S)-5-(formamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]methyl]-2-pyridin-3-ylacetamide
CID 58757155
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 67016457
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 122205194
5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 126496109
N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20616612
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
(1R,5S)-6-[2,6-difluoro-4-[2-fluoro-4-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 142987320
(pyridin-3-ylamino) [4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfinate
CID 88863670

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 142987296) is (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1[C@H]2CNC[C@@H]12.N/C=C\NC[C@H]1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is MRNDKEPNHJXPGI-ZPQOLMDASA-N. The full InChI is InChI=1S/C17H17FN4O2.C6H8N2/c18-16-8-13(3-4-15(16)12-2-1-6-20-9-12)22-11-14(24-17(22)23)10-21-7-5-19;7-1-4-5-2-8-3-6(4)5/h1-9,14,21H,10-11,19H2;4-6,8H,2-3H2/b7-5-;/t14-;4?,5-,6+/m0./s1.
What are the key properties of (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
(5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 436.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 142987296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).