1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine

C11H14N6O2 — CID 168603317

IUPAC1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C11H14N6O2/c12-9(13)16-10(14)15-7-2-1-3-8(6-7)17-4-5-19-11(17)18/h1-3,6H,4-5H2,(H6,12,13,14,15,16)
InChIKeyPSYNXQGBNKLXMD-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.14
Rot. Bonds2

About 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine

1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine (PubChem CID 168603317) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine
PubChem CID168603317
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1cccc(N2CCOC2=O)c1
InChIInChI=1S/C11H14N6O2/c12-9(13)16-10(14)15-7-2-1-3-8(6-7)17-4-5-19-11(17)18/h1-3,6H,4-5H2,(H6,12,13,14,15,16)
InChIKeyPSYNXQGBNKLXMD-UHFFFAOYSA-N
XLogP-0.14
TPSA132.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[3-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]guanidine
CID 168605462
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
methyl 5-oxo-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-3-carboxylate
CID 168695288
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
3-[3-[(3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 95973877
5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618465

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine (CID 168603317) is 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine is NC(N)=N/C(N)=N/c1cccc(N2CCOC2=O)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine?
The InChIKey is PSYNXQGBNKLXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-9(13)16-10(14)15-7-2-1-3-8(6-7)17-4-5-19-11(17)18/h1-3,6H,4-5H2,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine has a molecular weight of 262.27 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]guanidine is sourced from PubChem (CID 168603317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).