N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine

C13H22N2O — CID 79145527

IUPACN-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1ncoc1C1CCCCCC1
InChIInChI=1S/C13H22N2O/c1-2-14-9-12-13(16-10-15-12)11-7-5-3-4-6-8-11/h10-11,14H,2-9H2,1H3
InChIKeyBVMISQNMNDUZIK-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.22
Rot. Bonds4

About N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine

N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 79145527) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID79145527
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1ncoc1C1CCCCCC1
InChIInChI=1S/C13H22N2O/c1-2-14-9-12-13(16-10-15-12)11-7-5-3-4-6-8-11/h10-11,14H,2-9H2,1H3
InChIKeyBVMISQNMNDUZIK-UHFFFAOYSA-N
XLogP3.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine (CID 79145527) is N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine is CCNCc1ncoc1C1CCCCCC1.
What is the InChIKey of N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is BVMISQNMNDUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-14-9-12-13(16-10-15-12)11-7-5-3-4-6-8-11/h10-11,14H,2-9H2,1H3.
What are the key properties of N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine?
N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cycloheptyl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 79145527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).