7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

C21H19N3O4 — CID 24801650

IUPAC7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24)
InChIKeyDEDZRYZURNCPPC-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.66
Rot. Bonds6

About 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 24801650) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID24801650
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24)
InChIKeyDEDZRYZURNCPPC-UHFFFAOYSA-N
XLogP4.66
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (CID 24801650) is 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC.
What is the InChIKey of 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is DEDZRYZURNCPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24).
What are the key properties of 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 377.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24801650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).