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

C7H13ClN2O — CID 53398862

IUPAC(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCC(C)c1cc(CN)on1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-5(2)7-3-6(4-8)10-9-7;/h3,5H,4,8H2,1-2H3;1H
InChIKeyPRYWZYULEFRWJU-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.68
Rot. Bonds2

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

(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 53398862) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride
PubChem CID53398862
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCC(C)c1cc(CN)on1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-5(2)7-3-6(4-8)10-9-7;/h3,5H,4,8H2,1-2H3;1H
InChIKeyPRYWZYULEFRWJU-UHFFFAOYSA-N
XLogP1.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Propan-2-yl)-1,2-oxazol-5-amine
CID 2115208
(3-Methylisoxazol-5-yl)methanamine
CID 16481072
1-(5-Methyl-1,2-oxazol-3-yl)methanamine
CID 2776306
(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
[3-(Propan-2-yl)-1,2-oxazol-5-yl]methanamine
CID 6483898
5-(Bromomethyl)-3-(propan-2-yl)-1,2-oxazole
CID 14852907
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
(3-Propylisoxazol-5-yl)methanamine
CID 6484232
(3-Isobutylisoxazol-5-yl)methanamine
CID 6484233
5-(Chloromethyl)-3-(propan-2-yl)-1,2-oxazole
CID 12364602
3-(Chloromethyl)-5-(propan-2-yl)-1,2-oxazole
CID 25220785
Methyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine hydrochloride
CID 45595353

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride (CID 53398862) is (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride is CC(C)c1cc(CN)on1.Cl.
What is the InChIKey of (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The InChIKey is PRYWZYULEFRWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-5(2)7-3-6(4-8)10-9-7;/h3,5H,4,8H2,1-2H3;1H.
What are the key properties of (3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride?
(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.68, 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-1,2-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 53398862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).