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

C7H12N2O — CID 73354023

IUPACN-butyl-1,2-oxazol-3-amine
SMILESCCCCNc1ccon1
InChIInChI=1S/C7H12N2O/c1-2-3-5-8-7-4-6-10-9-7/h4,6H,2-3,5H2,1H3,(H,8,9)
InChIKeyBTZNMWNOCWBIIQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.89
Rot. Bonds4

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

N-butyl-1,2-oxazol-3-amine (PubChem CID 73354023) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-butyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-butyl-1,2-oxazol-3-amine
PubChem CID73354023
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-butyl-1,2-oxazol-3-amine
SMILESCCCCNc1ccon1
InChIInChI=1S/C7H12N2O/c1-2-3-5-8-7-4-6-10-9-7/h4,6H,2-3,5H2,1H3,(H,8,9)
InChIKeyBTZNMWNOCWBIIQ-UHFFFAOYSA-N
XLogP1.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.89
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-1,2-oxazol-3-amine?
The IUPAC name of N-butyl-1,2-oxazol-3-amine (CID 73354023) is N-butyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-butyl-1,2-oxazol-3-amine?
The canonical SMILES for N-butyl-1,2-oxazol-3-amine is CCCCNc1ccon1.
What is the InChIKey of N-butyl-1,2-oxazol-3-amine?
The InChIKey is BTZNMWNOCWBIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-5-8-7-4-6-10-9-7/h4,6H,2-3,5H2,1H3,(H,8,9).
What are the key properties of N-butyl-1,2-oxazol-3-amine?
N-butyl-1,2-oxazol-3-amine has a molecular weight of 140.19 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,2-oxazol-3-amine is sourced from PubChem (CID 73354023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).