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

C11H20N2O — CID 69278446

IUPAC(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine
SMILESCCCCCCc1nc(C)oc1CN
InChIInChI=1S/C11H20N2O/c1-3-4-5-6-7-10-11(8-12)14-9(2)13-10/h3-8,12H2,1-2H3
InChIKeyNFJXANZBGUKQIH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds6

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

(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine (PubChem CID 69278446) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine
PubChem CID69278446
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine
SMILESCCCCCCc1nc(C)oc1CN
InChIInChI=1S/C11H20N2O/c1-3-4-5-6-7-10-11(8-12)14-9(2)13-10/h3-8,12H2,1-2H3
InChIKeyNFJXANZBGUKQIH-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine;dihydrochloride
CID 69278445
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
1,4-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 141389615
2-methyl-4,5,6-tripentylpyrimidine
CID 66935521
2-propyl-4,5,6-tri(tetracosyl)pyrimidine
CID 91806969
4,5,6-tri(docosyl)-2-propylpyrimidine
CID 90898493
2-ethyl-4,5,6-tri(heptadecyl)pyrimidine
CID 91384633
5-hexyl-2,3-dimethylimidazol-4-amine
CID 62226133
2-bromo-4-hexyl-5-iodo-1,3-oxazole
CID 58017999
3,4-dipentyl-1,2,5-oxadiazole
CID 70008061
5-hexyl-2-methyl-1,3-benzoxazol-6-ol
CID 12886748
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417

Frequently Asked Questions

What is the IUPAC name of (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine?
The IUPAC name of (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine (CID 69278446) is (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine is CCCCCCc1nc(C)oc1CN.
What is the InChIKey of (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine?
The InChIKey is NFJXANZBGUKQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-5-6-7-10-11(8-12)14-9(2)13-10/h3-8,12H2,1-2H3.
What are the key properties of (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine?
(4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine has a molecular weight of 196.29 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexyl-2-methyl-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 69278446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).