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

C14H13N3O — CID 82337467

IUPAC2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESCc1ccc(-c2nc3ncc(N)cc3o2)cc1C
InChIInChI=1S/C14H13N3O/c1-8-3-4-10(5-9(8)2)14-17-13-12(18-14)6-11(15)7-16-13/h3-7H,15H2,1-2H3
InChIKeyLDPVHWJQRCUJMN-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.09
Rot. Bonds1

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

2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine (PubChem CID 82337467) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
PubChem CID82337467
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESCc1ccc(-c2nc3ncc(N)cc3o2)cc1C
InChIInChI=1S/C14H13N3O/c1-8-3-4-10(5-9(8)2)14-17-13-12(18-14)6-11(15)7-16-13/h3-7H,15H2,1-2H3
InChIKeyLDPVHWJQRCUJMN-UHFFFAOYSA-N
XLogP3.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337469
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
6-chloro-2-(3,4-dimethylphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337689
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848383
2-(methoxymethyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337499
2-(3,4-dimethylphenyl)-7-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82338039
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carbaldehyde
CID 82159693
4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 113392437

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine (CID 82337467) is 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine is Cc1ccc(-c2nc3ncc(N)cc3o2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The InChIKey is LDPVHWJQRCUJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-8-3-4-10(5-9(8)2)14-17-13-12(18-14)6-11(15)7-16-13/h3-7H,15H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine?
2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 82337467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).