4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine

C15H28N2O — CID 66199050

IUPAC4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
SMILESCCCCCCCCc1onc(N)c1CC(C)C
InChIInChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-14-13(11-12(2)3)15(16)17-18-14/h12H,4-11H2,1-3H3,(H2,16,17)
InChIKeyYCKYNKMYGLBLPE-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.36
Rot. Bonds9

About 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine

4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine (PubChem CID 66199050) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
PubChem CID66199050
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
SMILESCCCCCCCCc1onc(N)c1CC(C)C
InChIInChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-14-13(11-12(2)3)15(16)17-18-14/h12H,4-11H2,1-3H3,(H2,16,17)
InChIKeyYCKYNKMYGLBLPE-UHFFFAOYSA-N
XLogP4.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-pentyl-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 66203226
5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199654
4-ethyl-5-propyl-1,2-oxazol-3-amine
CID 66198038
4-(4-chlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66197935
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66206625
5-(cyclohexylmethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66200058
4-(2-chlorophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66206616
5-butyl-4-iodo-1,2-oxazol-3-amine
CID 79556943
5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine
CID 79412877
4-(3-bromophenyl)-5-octyl-1,2-oxazol-3-amine
CID 66199444
5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
CID 66202645
4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 82792888

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine (CID 66199050) is 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine is CCCCCCCCc1onc(N)c1CC(C)C.
What is the InChIKey of 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine?
The InChIKey is YCKYNKMYGLBLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-5-6-7-8-9-10-14-13(11-12(2)3)15(16)17-18-14/h12H,4-11H2,1-3H3,(H2,16,17).
What are the key properties of 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine?
4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine has a molecular weight of 252.40 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).