1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride

C8H14Cl2N2O — CID 146050201

IUPAC1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1ncc(C2CC2)o1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-9-5-8-10-4-7(11-8)6-2-3-6;;/h4,6,9H,2-3,5H2,1H3;2*1H
InChIKeyZJLLRCLNDFXXBH-UHFFFAOYSA-N
MW225.12 g/mol
LogP2.12
Rot. Bonds3

About 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride

1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride (PubChem CID 146050201) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride
PubChem CID146050201
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1ncc(C2CC2)o1.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-9-5-8-10-4-7(11-8)6-2-3-6;;/h4,6,9H,2-3,5H2,1H3;2*1H
InChIKeyZJLLRCLNDFXXBH-UHFFFAOYSA-N
XLogP2.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride (CID 146050201) is 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride is CNCc1ncc(C2CC2)o1.Cl.Cl.
What is the InChIKey of 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride?
The InChIKey is ZJLLRCLNDFXXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.2ClH/c1-9-5-8-10-4-7(11-8)6-2-3-6;;/h4,6,9H,2-3,5H2,1H3;2*1H.
What are the key properties of 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride?
1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3-oxazol-2-yl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 146050201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).