(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride

C7H15ClN2O — CID 53433543

IUPAC(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCC(C)C1=NOC(CN)C1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-5(2)7-3-6(4-8)10-9-7;/h5-6H,3-4,8H2,1-2H3;1H
InChIKeyWANHPCAWLROIPZ-UHFFFAOYSA-N
MW178.66 g/mol
LogP1.17
Rot. Bonds2

About (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride

(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 53433543) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
PubChem CID53433543
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCC(C)C1=NOC(CN)C1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-5(2)7-3-6(4-8)10-9-7;/h5-6H,3-4,8H2,1-2H3;1H
InChIKeyWANHPCAWLROIPZ-UHFFFAOYSA-N
XLogP1.17
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride (CID 53433543) is (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride is CC(C)C1=NOC(CN)C1.Cl.
What is the InChIKey of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The InChIKey is WANHPCAWLROIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-5(2)7-3-6(4-8)10-9-7;/h5-6H,3-4,8H2,1-2H3;1H.
What are the key properties of (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 53433543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).