N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide

C6H10N4O — CID 66157986

IUPACN-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide
SMILESC/N=C(\NN)c1cc(C)on1
InChIInChI=1S/C6H10N4O/c1-4-3-5(10-11-4)6(8-2)9-7/h3H,7H2,1-2H3,(H,8,9)
InChIKeyITMNJIRDTXMRCO-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.18
Rot. Bonds1

About N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide

N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide (PubChem CID 66157986) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide
PubChem CID66157986
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide
SMILESC/N=C(\NN)c1cc(C)on1
InChIInChI=1S/C6H10N4O/c1-4-3-5(10-11-4)6(8-2)9-7/h3H,7H2,1-2H3,(H,8,9)
InChIKeyITMNJIRDTXMRCO-UHFFFAOYSA-N
XLogP-0.18
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330
1-amino-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylguanidine
CID 116513831
N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
CID 172819404
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
N-[1-(5-methyl-1,2-oxazol-3-yl)ethenyl]propan-2-amine
CID 170186945
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride
CID 174888282
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768
N-amino-N',4-dimethyl-1H-pyrazole-5-carboximidamide
CID 137272488
methyl 5-methyl-N-pyridin-4-yl-1,2-oxazole-3-carboximidate
CID 153410770

Frequently Asked Questions

What is the IUPAC name of N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide?
The IUPAC name of N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide (CID 66157986) is N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide.
What is the SMILES notation for N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide?
The canonical SMILES for N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide is C/N=C(\NN)c1cc(C)on1.
What is the InChIKey of N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide?
The InChIKey is ITMNJIRDTXMRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4-3-5(10-11-4)6(8-2)9-7/h3H,7H2,1-2H3,(H,8,9).
What are the key properties of N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide?
N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide has a molecular weight of 154.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',5-dimethyl-1,2-oxazole-3-carboximidamide is sourced from PubChem (CID 66157986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).