N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide

C10H17N3O — CID 143401894

IUPACN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)CCc1oc(C)nc1C
InChIInChI=1S/C10H17N3O/c1-8-10(14-9(2)12-8)5-6-13(4)7-11-3/h7H,5-6H2,1-4H3/b11-7+
InChIKeyYUKSPERVBXDHNC-YRNVUSSQSA-N
MW195.27 g/mol
LogP1.42
Rot. Bonds4

About N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide

N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide (PubChem CID 143401894) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide
PubChem CID143401894
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)CCc1oc(C)nc1C
InChIInChI=1S/C10H17N3O/c1-8-10(14-9(2)12-8)5-6-13(4)7-11-3/h7H,5-6H2,1-4H3/b11-7+
InChIKeyYUKSPERVBXDHNC-YRNVUSSQSA-N
XLogP1.42
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide (CID 143401894) is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide is C/N=C/N(C)CCc1oc(C)nc1C.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide?
The InChIKey is YUKSPERVBXDHNC-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-10(14-9(2)12-8)5-6-13(4)7-11-3/h7H,5-6H2,1-4H3/b11-7+.
What are the key properties of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide?
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide has a molecular weight of 195.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 143401894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).