1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine

C11H20N2O — CID 131036465

IUPAC1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C(C)C(C)(C)C)o1
InChIInChI=1S/C11H20N2O/c1-7(11(3,4)5)9-6-13-10(14-9)8(2)12/h6-8H,12H2,1-5H3
InChIKeyCAPAPFRSCSBYEM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.84
Rot. Bonds2

About 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine

1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 131036465) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID131036465
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C(C)C(C)(C)C)o1
InChIInChI=1S/C11H20N2O/c1-7(11(3,4)5)9-6-13-10(14-9)8(2)12/h6-8H,12H2,1-5H3
InChIKeyCAPAPFRSCSBYEM-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 84766268
2,5-di(propan-2-yl)-1,3-oxazole
CID 21065018
(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 138039801
2,5-di(propan-2-yl)-1,3-oxazole;ethane
CID 142582131
1-[5-(2-methoxyethyl)-1,3-oxazol-2-yl]ethanamine
CID 65179175
1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179063
1-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178744
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82416552
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179061
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 131036465) is 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(C(C)C(C)(C)C)o1.
What is the InChIKey of 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is CAPAPFRSCSBYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(11(3,4)5)9-6-13-10(14-9)8(2)12/h6-8H,12H2,1-5H3.
What are the key properties of 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 196.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 131036465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).