N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine

C15H24N2O — CID 84593662

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1noc(C)c1CCCNC1CC2CCC1C2
InChIInChI=1S/C15H24N2O/c1-10-14(11(2)18-17-10)4-3-7-16-15-9-12-5-6-13(15)8-12/h12-13,15-16H,3-9H2,1-2H3
InChIKeyBELFMMWOCLMZOS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.00
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 84593662) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID84593662
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1noc(C)c1CCCNC1CC2CCC1C2
InChIInChI=1S/C15H24N2O/c1-10-14(11(2)18-17-10)4-3-7-16-15-9-12-5-6-13(15)8-12/h12-13,15-16H,3-9H2,1-2H3
InChIKeyBELFMMWOCLMZOS-UHFFFAOYSA-N
XLogP3.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.00
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-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine (CID 84593662) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine is Cc1noc(C)c1CCCNC1CC2CCC1C2.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is BELFMMWOCLMZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-14(11(2)18-17-10)4-3-7-16-15-9-12-5-6-13(15)8-12/h12-13,15-16H,3-9H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 84593662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).