2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine

C16H17N3O — CID 82337778

IUPAC2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine
SMILESCC(C)(C)c1ccc(-c2nc3cc(N)cnc3o2)cc1
InChIInChI=1S/C16H17N3O/c1-16(2,3)11-6-4-10(5-7-11)14-19-13-8-12(17)9-18-15(13)20-14/h4-9H,17H2,1-3H3
InChIKeyOYUUJEQBFDBHFI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.77
Rot. Bonds1

About 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine

2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine (PubChem CID 82337778) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine
PubChem CID82337778
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine
SMILESCC(C)(C)c1ccc(-c2nc3cc(N)cnc3o2)cc1
InChIInChI=1S/C16H17N3O/c1-16(2,3)11-6-4-10(5-7-11)14-19-13-8-12(17)9-18-15(13)20-14/h4-9H,17H2,1-3H3
InChIKeyOYUUJEQBFDBHFI-UHFFFAOYSA-N
XLogP3.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 82337728
5-bromo-2-(4-tert-butylphenyl)-1,3-benzoxazol-7-amine
CID 104728796
5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
CID 101479492
2-(4-tert-butylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 71242093
5-(4-tert-butylphenyl)pyridin-3-amine
CID 25184245
6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337689
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852
6-chloro-2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337691
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine
CID 118090028

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine (CID 82337778) is 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine is CC(C)(C)c1ccc(-c2nc3cc(N)cnc3o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine?
The InChIKey is OYUUJEQBFDBHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(2,3)11-6-4-10(5-7-11)14-19-13-8-12(17)9-18-15(13)20-14/h4-9H,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine?
2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine has a molecular weight of 267.33 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-[1,3]oxazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 82337778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).