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

C20H17N3O2 — CID 139409726

IUPAC4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESCc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
InChIInChI=1S/C20H17N3O2/c1-14-7-9-15(10-8-14)13-24-17-5-2-6-18-19(17)20(23-25-18)22-16-4-3-11-21-12-16/h2-12H,13H2,1H3,(H,22,23)
InChIKeyBKOPRLUZGRNPJH-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.85
Rot. Bonds5

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

4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409726) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409726
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESCc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
InChIInChI=1S/C20H17N3O2/c1-14-7-9-15(10-8-14)13-24-17-5-2-6-18-19(17)20(23-25-18)22-16-4-3-11-21-12-16/h2-12H,13H2,1H3,(H,22,23)
InChIKeyBKOPRLUZGRNPJH-UHFFFAOYSA-N
XLogP4.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409726) is 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Cc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is BKOPRLUZGRNPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14-7-9-15(10-8-14)13-24-17-5-2-6-18-19(17)20(23-25-18)22-16-4-3-11-21-12-16/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 331.38 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).