(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride

C8H14Cl2N2O — CID 155822451

IUPAC(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride
SMILESCc1oc(C2CC2)nc1CN.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-5-7(4-9)10-8(11-5)6-2-3-6;;/h6H,2-4,9H2,1H3;2*1H
InChIKeyFCFHXDBPBBDLDJ-UHFFFAOYSA-N
MW225.12 g/mol
LogP2.16
Rot. Bonds2

About (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride

(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride (PubChem CID 155822451) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride
PubChem CID155822451
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride
SMILESCc1oc(C2CC2)nc1CN.Cl.Cl
InChIInChI=1S/C8H12N2O.2ClH/c1-5-7(4-9)10-8(11-5)6-2-3-6;;/h6H,2-4,9H2,1H3;2*1H
InChIKeyFCFHXDBPBBDLDJ-UHFFFAOYSA-N
XLogP2.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82507667
ethyl 2-[5-methyl-2-(oxan-4-yl)-1,3-oxazol-4-yl]acetate
CID 102525599
(2-ethyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82502441
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
4-ethyl-5-methyl-2-piperidin-3-yl-1,3-oxazole
CID 105448329
5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole
CID 130952213
[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine
CID 82503114
2-(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)morpholine
CID 105461830
2-cyclopropyl-5-methyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115019146
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842750
[4-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 79524790

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride (CID 155822451) is (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride is Cc1oc(C2CC2)nc1CN.Cl.Cl.
What is the InChIKey of (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride?
The InChIKey is FCFHXDBPBBDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.2ClH/c1-5-7(4-9)10-8(11-5)6-2-3-6;;/h6H,2-4,9H2,1H3;2*1H.
What are the key properties of (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride?
(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 155822451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).