(3,5-diethyl-1,2-oxazol-4-yl)methanamine

C8H14N2O — CID 71755768

IUPAC(3,5-diethyl-1,2-oxazol-4-yl)methanamine
SMILESCCc1noc(CC)c1CN
InChIInChI=1S/C8H14N2O/c1-3-7-6(5-9)8(4-2)11-10-7/h3-5,9H2,1-2H3
InChIKeyWTCICVGKGDKXTI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.26
Rot. Bonds3

About (3,5-diethyl-1,2-oxazol-4-yl)methanamine

(3,5-diethyl-1,2-oxazol-4-yl)methanamine (PubChem CID 71755768) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3,5-diethyl-1,2-oxazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-diethyl-1,2-oxazol-4-yl)methanamine
PubChem CID71755768
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3,5-diethyl-1,2-oxazol-4-yl)methanamine
SMILESCCc1noc(CC)c1CN
InChIInChI=1S/C8H14N2O/c1-3-7-6(5-9)8(4-2)11-10-7/h3-5,9H2,1-2H3
InChIKeyWTCICVGKGDKXTI-UHFFFAOYSA-N
XLogP1.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Propan-2-yl)-1,2-oxazol-5-yl]methanamine
CID 6483898
2-(Dimethyl-1,2-oxazol-4-yl)ethan-1-amine
CID 2758570
4,5,6,7-Tetrahydro-1,2-benzoxazol-3-ylmethanamine
CID 23006263
(Dimethyl-1,2-oxazol-4-yl)methanamine
CID 11018874
Cyclooct[d]isoxazole, 4,5,8,9-tetrahydro-3-methyl-
CID 4393047
3-(tert-Butyl)-4-methylisoxazol-5-amine
CID 14457870
4-Methyl-3-(1-methylethyl)-5-isoxazolamine
CID 14457874
3-(Dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 16394817
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
4-(Chloromethyl)-3-ethyl-5-methyl-1,2-oxazole
CID 24973884
1-(3,5-Dimethylisoxazol-4-Yl)Methanamine Hydrochloride
CID 45782704

Frequently Asked Questions

What is the IUPAC name of (3,5-diethyl-1,2-oxazol-4-yl)methanamine?
The IUPAC name of (3,5-diethyl-1,2-oxazol-4-yl)methanamine (CID 71755768) is (3,5-diethyl-1,2-oxazol-4-yl)methanamine.
What is the SMILES notation for (3,5-diethyl-1,2-oxazol-4-yl)methanamine?
The canonical SMILES for (3,5-diethyl-1,2-oxazol-4-yl)methanamine is CCc1noc(CC)c1CN.
What is the InChIKey of (3,5-diethyl-1,2-oxazol-4-yl)methanamine?
The InChIKey is WTCICVGKGDKXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7-6(5-9)8(4-2)11-10-7/h3-5,9H2,1-2H3.
What are the key properties of (3,5-diethyl-1,2-oxazol-4-yl)methanamine?
(3,5-diethyl-1,2-oxazol-4-yl)methanamine has a molecular weight of 154.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethyl-1,2-oxazol-4-yl)methanamine is sourced from PubChem (CID 71755768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).