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

C34H43FN8O5 — CID 142987358

IUPAC5-[[[(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
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3C(C#N)[C@@H]3C2)CC1.N/C=C\NCC1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN4O2.C17H26N4O3/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;1-17(2,3)24-16(23)20-6-4-19(5-7-20)11-15(22)21-9-13-12(8-18)14(13)10-21/h1-9,14,21H,10-11,19H2;12-14H,4-7,9-11H2,1-3H3/b7-5-;/t;12?,13-,14+
InChIKeyARPNAGRBWSNKMD-SDNSHKEHSA-N
MW662.77 g/mol
LogP3.00
Rot. Bonds7

About 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

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 (PubChem CID 142987358) has the molecular formula C34H43FN8O5 and a molecular weight of 662.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[[(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
PubChem CID142987358
Molecular FormulaC34H43FN8O5
Molecular Weight662.77 g/mol
Exact Mass662.33
IUPAC Name5-[[[(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
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3C(C#N)[C@@H]3C2)CC1.N/C=C\NCC1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN4O2.C17H26N4O3/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;1-17(2,3)24-16(23)20-6-4-19(5-7-20)11-15(22)21-9-13-12(8-18)14(13)10-21/h1-9,14,21H,10-11,19H2;12-14H,4-7,9-11H2,1-3H3/b7-5-;/t;12?,13-,14+
InChIKeyARPNAGRBWSNKMD-SDNSHKEHSA-N
XLogP3.00
TPSA157.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.77
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(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
tert-butyl 4-[2-[(1S,5R)-6-cyano-6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 71048299
tert-butyl 4-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 68541825
(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
tert-butyl 4-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 89302584
tert-butyl (1R,5S)-6-[4-[4-[(5R)-5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 152801322
tert-butyl 6-cyano-6-[5-[4-[(5S)-5-[[(2,2-difluoroacetyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 68616340
tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane
CID 145300081
tert-butyl 4-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxylate
CID 99646556
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@@H]3C(C#N)[C@@H]3C2)CC1.N/C=C\NCC1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1.
What is the InChIKey of 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?
The InChIKey is ARPNAGRBWSNKMD-SDNSHKEHSA-N. The full InChI is InChI=1S/C17H17FN4O2.C17H26N4O3/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;1-17(2,3)24-16(23)20-6-4-19(5-7-20)11-15(22)21-9-13-12(8-18)14(13)10-21/h1-9,14,21H,10-11,19H2;12-14H,4-7,9-11H2,1-3H3/b7-5-;/t;12?,13-,14+.
What are the key properties of 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?
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 has a molecular weight of 662.77 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142987358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).