3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine

C17H21N3O — CID 84743563

IUPAC3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine
SMILESCc1c(-c2cc(N)on2)c2cc(C(C)(C)C)ccc2n1C
InChIInChI=1S/C17H21N3O/c1-10-16(13-9-15(18)21-19-13)12-8-11(17(2,3)4)6-7-14(12)20(10)5/h6-9H,18H2,1-5H3
InChIKeyXNEOXZFHJXMEOV-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.02
Rot. Bonds1

About 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine

3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine (PubChem CID 84743563) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine
PubChem CID84743563
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine
SMILESCc1c(-c2cc(N)on2)c2cc(C(C)(C)C)ccc2n1C
InChIInChI=1S/C17H21N3O/c1-10-16(13-9-15(18)21-19-13)12-8-11(17(2,3)4)6-7-14(12)20(10)5/h6-9H,18H2,1-5H3
InChIKeyXNEOXZFHJXMEOV-UHFFFAOYSA-N
XLogP4.02
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol
CID 115108539
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
2,5-ditert-butyl-1,3-dimethylindole
CID 59882822
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82500218
5-(5-ethyl-1,2-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742247
5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
CID 115108997
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
3-[2-methyl-6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazol-5-amine
CID 136986044
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
6-(5-methoxy-1,2-dimethylindol-3-yl)pyridin-3-amine
CID 115110619
3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
CID 117328763
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propanenitrile
CID 82499617

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine (CID 84743563) is 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine is Cc1c(-c2cc(N)on2)c2cc(C(C)(C)C)ccc2n1C.
What is the InChIKey of 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine?
The InChIKey is XNEOXZFHJXMEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-16(13-9-15(18)21-19-13)12-8-11(17(2,3)4)6-7-14(12)20(10)5/h6-9H,18H2,1-5H3.
What are the key properties of 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine?
3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine has a molecular weight of 283.38 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 84743563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).