N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine

C15H24N2O — CID 79145851

IUPACN-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
SMILESc1nc(CNC2CC2)c(C2CCCCCCC2)o1
InChIInChI=1S/C15H24N2O/c1-2-4-6-12(7-5-3-1)15-14(17-11-18-15)10-16-13-8-9-13/h11-13,16H,1-10H2
InChIKeyBFVWRSILJABIBE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.75
Rot. Bonds4

About N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine

N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine (PubChem CID 79145851) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
PubChem CID79145851
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
SMILESc1nc(CNC2CC2)c(C2CCCCCCC2)o1
InChIInChI=1S/C15H24N2O/c1-2-4-6-12(7-5-3-1)15-14(17-11-18-15)10-16-13-8-9-13/h11-13,16H,1-10H2
InChIKeyBFVWRSILJABIBE-UHFFFAOYSA-N
XLogP3.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79145527
N-[[5-(oxan-2-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145755
N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 107186259
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 79144994
1-[5-(4-tert-butylcyclohexyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79140315
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145639
N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144897
N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 106856519
N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145469
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]ethenesulfonamide
CID 167768215
N-[(5-methyl-1,3-oxazol-4-yl)methyl]oxetan-3-amine
CID 131196732
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144806

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine (CID 79145851) is N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine is c1nc(CNC2CC2)c(C2CCCCCCC2)o1.
What is the InChIKey of N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
The InChIKey is BFVWRSILJABIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-4-6-12(7-5-3-1)15-14(17-11-18-15)10-16-13-8-9-13/h11-13,16H,1-10H2.
What are the key properties of N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine?
N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclooctyl-1,3-oxazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79145851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).