[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride

C8H13ClN2O — CID 139022623

IUPAC[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(CC2CC2)on1
InChIInChI=1S/C8H12N2O.ClH/c9-5-7-4-8(11-10-7)3-6-1-2-6;/h4,6H,1-3,5,9H2;1H
InChIKeyWFIWTSGUCYNQNW-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.51
Rot. Bonds3

About [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride

[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride (PubChem CID 139022623) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
PubChem CID139022623
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(CC2CC2)on1
InChIInChI=1S/C8H12N2O.ClH/c9-5-7-4-8(11-10-7)3-6-1-2-6;/h4,6H,1-3,5,9H2;1H
InChIKeyWFIWTSGUCYNQNW-UHFFFAOYSA-N
XLogP1.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride (CID 139022623) is [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride is Cl.NCc1cc(CC2CC2)on1.
What is the InChIKey of [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
The InChIKey is WFIWTSGUCYNQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c9-5-7-4-8(11-10-7)3-6-1-2-6;/h4,6H,1-3,5,9H2;1H.
What are the key properties of [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride?
[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 139022623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).