(5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride

C8H15ClN2O — CID 138376781

IUPAC(5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride
SMILESCC(C)(C)c1ocnc1CN.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-8(2,3)7-6(4-9)10-5-11-7;/h5H,4,9H2,1-3H3;1H
InChIKeyOSWQYSBLNGDOQA-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.85
Rot. Bonds1

About (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride

(5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride (PubChem CID 138376781) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride
PubChem CID138376781
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name(5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride
SMILESCC(C)(C)c1ocnc1CN.Cl
InChIInChI=1S/C8H14N2O.ClH/c1-8(2,3)7-6(4-9)10-5-11-7;/h5H,4,9H2,1-3H3;1H
InChIKeyOSWQYSBLNGDOQA-UHFFFAOYSA-N
XLogP1.85
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-1,3-oxazol-4-yl)methanamine
CID 57885769
(5-Cyclopropyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 137971658
1-(5-Methyl-1,3-oxazol-4-yl)methanamine hydrochloride
CID 72212391
1-(4-Ethyl-1,3-oxazol-5-yl)methanamine dihydrochloride
CID 165945971
(5-Ethyloxazol-4-yl)methanamine hydrochloride
CID 170912231
N-[(5-butan-2-yl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 166789290
N-[(5-ethyl-1,3-oxazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 166789291
Tert-butyl 3-[4-(aminomethyl)-1,3-oxazol-5-yl]azetidine-1-carboxylate hydrochloride
CID 137964434
(5-Isopropyloxazol-4-yl)methanamine hydrochloride
CID 137971659
4-(Azidomethyl)-5-isopropyloxazole
CID 138376782
(5-Cyclobutyloxazol-4-yl)methanamine hydrochloride
CID 138376783
4-(Azidomethyl)-5-(t-butyl)oxazole
CID 138376796

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride (CID 138376781) is (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride is CC(C)(C)c1ocnc1CN.Cl.
What is the InChIKey of (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The InChIKey is OSWQYSBLNGDOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c1-8(2,3)7-6(4-9)10-5-11-7;/h5H,4,9H2,1-3H3;1H.
What are the key properties of (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
(5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-oxazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 138376781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).