3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine

C20H15N3O3 — CID 67388241

IUPAC3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3c(c2)OCCO3)cc1-c1nc2ccccc2o1
InChIInChI=1S/C20H15N3O3/c21-19-14(20-23-15-3-1-2-4-16(15)26-20)9-13(11-22-19)12-5-6-17-18(10-12)25-8-7-24-17/h1-6,9-11H,7-8H2,(H2,21,22)
InChIKeyWGUWVWDZJSLIGT-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.91
Rot. Bonds2

About 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine

3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine (PubChem CID 67388241) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
PubChem CID67388241
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3c(c2)OCCO3)cc1-c1nc2ccccc2o1
InChIInChI=1S/C20H15N3O3/c21-19-14(20-23-15-3-1-2-4-16(15)26-20)9-13(11-22-19)12-5-6-17-18(10-12)25-8-7-24-17/h1-6,9-11H,7-8H2,(H2,21,22)
InChIKeyWGUWVWDZJSLIGT-UHFFFAOYSA-N
XLogP3.91
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine with MolForge

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Related Compounds

3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 67388374
3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine
CID 67389274
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 67388113
3-(1,3-benzoxazol-2-yl)-5-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]pyridin-2-amine
CID 67388137
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide
CID 174629042
3-(1,3-benzoxazol-2-yl)-5-[1-(1-methyl-1-oxidopiperidin-1-ium-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 86630146
3-(1,3-benzoxazol-2-yl)-5-[1-(4-iminobutan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 174641874
3-(1,3-benzoxazol-2-yl)-5-[5-(dimethylamino)-2-(1-methylpiperidin-4-yl)-1,5-dihydropyrazol-4-yl]pyridin-2-amine;ethane
CID 143796257
6-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)-1,3-benzoxazole
CID 46089152
2-[4-(1,3-benzoxazol-2-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110827793
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 42599605

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine (CID 67388241) is 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine is Nc1ncc(-c2ccc3c(c2)OCCO3)cc1-c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
The InChIKey is WGUWVWDZJSLIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c21-19-14(20-23-15-3-1-2-4-16(15)26-20)9-13(11-22-19)12-5-6-17-18(10-12)25-8-7-24-17/h1-6,9-11H,7-8H2,(H2,21,22).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine?
3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine has a molecular weight of 345.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine is sourced from PubChem (CID 67388241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).