[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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Related Compounds

[5-[(1,1-dioxothiolan-3-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115093912
[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
CID 115094147
(5-ethyl-1,2-oxazol-3-yl)methanamine;hydrochloride
CID 70789245
5-(chloromethyl)-3-(cyclopropylmethyl)-1,2-oxazole
CID 166559907
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111
(5-ethyl-1,2-oxazol-3-yl)methanamine
CID 23006259
[5-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methanamine
CID 63009223
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63705833
3-(cyclopropylmethyl)-1,2-oxazol-5-amine
CID 54776320
[5-[(4-propylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62438397
[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62445866
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 62422956

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).