3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide

C11H20N4O2 — CID 79242219

IUPAC3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCc1noc(C)c1C(C)NCC(C)C(N)=NO
InChIInChI=1S/C11H20N4O2/c1-6(11(12)14-16)5-13-7(2)10-8(3)15-17-9(10)4/h6-7,13,16H,5H2,1-4H3,(H2,12,14)
InChIKeySAFPYJWNYBTYIK-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.32
Rot. Bonds5

About 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide

3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 79242219) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID79242219
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCc1noc(C)c1C(C)NCC(C)C(N)=NO
InChIInChI=1S/C11H20N4O2/c1-6(11(12)14-16)5-13-7(2)10-8(3)15-17-9(10)4/h6-7,13,16H,5H2,1-4H3,(H2,12,14)
InChIKeySAFPYJWNYBTYIK-UHFFFAOYSA-N
XLogP1.32
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79238531
N'-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanimidamide
CID 77027890
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 79242225
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
CID 113428834
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104577650
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 79242240
ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate
CID 103255501
methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
CID 115353489
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80598910
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81397433
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide (CID 79242219) is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide is Cc1noc(C)c1C(C)NCC(C)C(N)=NO.
What is the InChIKey of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is SAFPYJWNYBTYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6(11(12)14-16)5-13-7(2)10-8(3)15-17-9(10)4/h6-7,13,16H,5H2,1-4H3,(H2,12,14).
What are the key properties of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 240.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 79242219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).