3-butyl-4-propyl-1,2-oxazol-5-amine

C10H18N2O — CID 580743

IUPAC3-butyl-4-propyl-1,2-oxazol-5-amine
SMILESCCCCc1noc(N)c1CCC
InChIInChI=1S/C10H18N2O/c1-3-5-7-9-8(6-4-2)10(11)13-12-9/h3-7,11H2,1-2H3
InChIKeyUCARHZIUAIJGLP-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.55
Rot. Bonds5

About 3-butyl-4-propyl-1,2-oxazol-5-amine

3-butyl-4-propyl-1,2-oxazol-5-amine (PubChem CID 580743) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-butyl-4-propyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-butyl-4-propyl-1,2-oxazol-5-amine
PubChem CID580743
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-butyl-4-propyl-1,2-oxazol-5-amine
SMILESCCCCc1noc(N)c1CCC
InChIInChI=1S/C10H18N2O/c1-3-5-7-9-8(6-4-2)10(11)13-12-9/h3-7,11H2,1-2H3
InChIKeyUCARHZIUAIJGLP-UHFFFAOYSA-N
XLogP2.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-propyl-1,2-oxazol-5-amine?
The IUPAC name of 3-butyl-4-propyl-1,2-oxazol-5-amine (CID 580743) is 3-butyl-4-propyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-butyl-4-propyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-butyl-4-propyl-1,2-oxazol-5-amine is CCCCc1noc(N)c1CCC.
What is the InChIKey of 3-butyl-4-propyl-1,2-oxazol-5-amine?
The InChIKey is UCARHZIUAIJGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-7-9-8(6-4-2)10(11)13-12-9/h3-7,11H2,1-2H3.
What are the key properties of 3-butyl-4-propyl-1,2-oxazol-5-amine?
3-butyl-4-propyl-1,2-oxazol-5-amine has a molecular weight of 182.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-propyl-1,2-oxazol-5-amine is sourced from PubChem (CID 580743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).