4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C20H17N3O3 — CID 139409734

IUPAC4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESCOc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C20H17N3O3/c1-24-16-7-2-5-14(11-16)13-25-17-8-3-9-18-19(17)20(23-26-18)22-15-6-4-10-21-12-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyDGQDEBPIBBBVAV-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.55
Rot. Bonds6

About 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409734) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409734
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESCOc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C20H17N3O3/c1-24-16-7-2-5-14(11-16)13-25-17-8-3-9-18-19(17)20(23-26-18)22-15-6-4-10-21-12-15/h2-12H,13H2,1H3,(H,22,23)
InChIKeyDGQDEBPIBBBVAV-UHFFFAOYSA-N
XLogP4.55
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409734) is 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is COc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is DGQDEBPIBBBVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-24-16-7-2-5-14(11-16)13-25-17-8-3-9-18-19(17)20(23-26-18)22-15-6-4-10-21-12-15/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 347.37 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).