(5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride

C8H13ClN2O — CID 138376783

IUPAC(5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride
SMILESCl.NCc1ncoc1C1CCC1
InChIInChI=1S/C8H12N2O.ClH/c9-4-7-8(11-5-10-7)6-2-1-3-6;/h5-6H,1-4,9H2;1H
InChIKeyYXAZZONTSNOZFG-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.82
Rot. Bonds2

About (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride

(5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride (PubChem CID 138376783) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride
PubChem CID138376783
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name(5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride
SMILESCl.NCc1ncoc1C1CCC1
InChIInChI=1S/C8H12N2O.ClH/c9-4-7-8(11-5-10-7)6-2-1-3-6;/h5-6H,1-4,9H2;1H
InChIKeyYXAZZONTSNOZFG-UHFFFAOYSA-N
XLogP1.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride (CID 138376783) is (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride is Cl.NCc1ncoc1C1CCC1.
What is the InChIKey of (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The InChIKey is YXAZZONTSNOZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c9-4-7-8(11-5-10-7)6-2-1-3-6;/h5-6H,1-4,9H2;1H.
What are the key properties of (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
(5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-1,3-oxazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 138376783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).