2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide

C5H10N4O — CID 55290778

IUPAC2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide
SMILES[H]/N=C1\OC(C)CN1/C(N)=N/[H]
InChIInChI=1S/C5H10N4O/c1-3-2-9(4(6)7)5(8)10-3/h3,8H,2H2,1H3,(H3,6,7)/b8-5-
InChIKeyFDVOJUWIUDIHTL-YVMONPNESA-N
MW142.16 g/mol
LogP-0.46
Rot. Bonds

About 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide

2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide (PubChem CID 55290778) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide.

Molecular Properties

Compound Name2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide
PubChem CID55290778
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide
SMILES[H]/N=C1\OC(C)CN1/C(N)=N/[H]
InChIInChI=1S/C5H10N4O/c1-3-2-9(4(6)7)5(8)10-3/h3,8H,2H2,1H3,(H3,6,7)/b8-5-
InChIKeyFDVOJUWIUDIHTL-YVMONPNESA-N
XLogP-0.46
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.46
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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Frequently Asked Questions

What is the IUPAC name of 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide?
The IUPAC name of 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide (CID 55290778) is 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide.
What is the SMILES notation for 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide?
The canonical SMILES for 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide is [H]/N=C1\OC(C)CN1/C(N)=N/[H].
What is the InChIKey of 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide?
The InChIKey is FDVOJUWIUDIHTL-YVMONPNESA-N. The full InChI is InChI=1S/C5H10N4O/c1-3-2-9(4(6)7)5(8)10-3/h3,8H,2H2,1H3,(H3,6,7)/b8-5-.
What are the key properties of 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide?
2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide has a molecular weight of 142.16 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-methyl-1,3-oxazolidine-3-carboximidamide is sourced from PubChem (CID 55290778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).