N-butyl-3-methyl-1,2-oxazol-5-amine

C8H14N2O — CID 23009553

IUPACN-butyl-3-methyl-1,2-oxazol-5-amine
SMILESCCCCNc1cc(C)no1
InChIInChI=1S/C8H14N2O/c1-3-4-5-9-8-6-7(2)10-11-8/h6,9H,3-5H2,1-2H3
InChIKeyFAAAMJFDCGOCCF-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.20
Rot. Bonds4

About N-butyl-3-methyl-1,2-oxazol-5-amine

N-butyl-3-methyl-1,2-oxazol-5-amine (PubChem CID 23009553) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-butyl-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-butyl-3-methyl-1,2-oxazol-5-amine
PubChem CID23009553
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-butyl-3-methyl-1,2-oxazol-5-amine
SMILESCCCCNc1cc(C)no1
InChIInChI=1S/C8H14N2O/c1-3-4-5-9-8-6-7(2)10-11-8/h6,9H,3-5H2,1-2H3
InChIKeyFAAAMJFDCGOCCF-UHFFFAOYSA-N
XLogP2.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of N-butyl-3-methyl-1,2-oxazol-5-amine (CID 23009553) is N-butyl-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for N-butyl-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for N-butyl-3-methyl-1,2-oxazol-5-amine is CCCCNc1cc(C)no1.
What is the InChIKey of N-butyl-3-methyl-1,2-oxazol-5-amine?
The InChIKey is FAAAMJFDCGOCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-5-9-8-6-7(2)10-11-8/h6,9H,3-5H2,1-2H3.
What are the key properties of N-butyl-3-methyl-1,2-oxazol-5-amine?
N-butyl-3-methyl-1,2-oxazol-5-amine has a molecular weight of 154.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 23009553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).