5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine

C22H27N5O3 — CID 142987301

IUPAC5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine
SMILESN/C=C\NCC1CN(c2ccc(-c3cccnc3)cc2)C(=O)O1.NC1C2COCC12
InChIInChI=1S/C17H18N4O2.C5H9NO/c18-7-9-20-11-16-12-21(17(22)23-16)15-5-3-13(4-6-15)14-2-1-8-19-10-14;6-5-3-1-7-2-4(3)5/h1-10,16,20H,11-12,18H2;3-5H,1-2,6H2/b9-7-;
InChIKeyOAQKZAAHBHBHJU-VILQZVERSA-N
MW409.49 g/mol
LogP1.68
Rot. Bonds5

About 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine

5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 142987301) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine
PubChem CID142987301
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine
SMILESN/C=C\NCC1CN(c2ccc(-c3cccnc3)cc2)C(=O)O1.NC1C2COCC12
InChIInChI=1S/C17H18N4O2.C5H9NO/c18-7-9-20-11-16-12-21(17(22)23-16)15-5-3-13(4-6-15)14-2-1-8-19-10-14;6-5-3-1-7-2-4(3)5/h1-10,16,20H,11-12,18H2;3-5H,1-2,6H2/b9-7-;
InChIKeyOAQKZAAHBHBHJU-VILQZVERSA-N
XLogP1.68
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine 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

N-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
(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
3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69242871
[2-oxo-3-(4-pyridin-4-ylphenyl)-1,3-oxazolidin-5-yl]methylthiourea
CID 85054920
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
5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 67608405
(5S)-5-(aminomethyl)-3-(5-pyridin-3-yl-2-pyridinyl)-1,3-oxazolidin-2-one;trihydrochloride
CID 70195308
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185
3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 157419569
N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20616612
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 126496109

Frequently Asked Questions

What is the IUPAC name of 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 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) is 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine is N/C=C\NCC1CN(c2ccc(-c3cccnc3)cc2)C(=O)O1.NC1C2COCC12.
What is the InChIKey of 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine?
The InChIKey is OAQKZAAHBHBHJU-VILQZVERSA-N. The full InChI is InChI=1S/C17H18N4O2.C5H9NO/c18-7-9-20-11-16-12-21(17(22)23-16)15-5-3-13(4-6-15)14-2-1-8-19-10-14;6-5-3-1-7-2-4(3)5/h1-10,16,20H,11-12,18H2;3-5H,1-2,6H2/b9-7-;.
What are the key properties of 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine?
5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 409.49 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(Z)-2-aminoethenyl]amino]methyl]-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one;3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 142987301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).