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

C19H14ClN3O2 — CID 139409692

IUPAC4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESClc1ccccc1COc1cccc2onc(Nc3cccnc3)c12
InChIInChI=1S/C19H14ClN3O2/c20-15-7-2-1-5-13(15)12-24-16-8-3-9-17-18(16)19(23-25-17)22-14-6-4-10-21-11-14/h1-11H,12H2,(H,22,23)
InChIKeyGNXFBHAFCGDOKL-UHFFFAOYSA-N
MW351.79 g/mol
LogP5.20
Rot. Bonds5

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

4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409692) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409692
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESClc1ccccc1COc1cccc2onc(Nc3cccnc3)c12
InChIInChI=1S/C19H14ClN3O2/c20-15-7-2-1-5-13(15)12-24-16-8-3-9-17-18(16)19(23-25-17)22-14-6-4-10-21-11-14/h1-11H,12H2,(H,22,23)
InChIKeyGNXFBHAFCGDOKL-UHFFFAOYSA-N
XLogP5.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.79
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409692) is 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Clc1ccccc1COc1cccc2onc(Nc3cccnc3)c12.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is GNXFBHAFCGDOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-7-2-1-5-13(15)12-24-16-8-3-9-17-18(16)19(23-25-17)22-14-6-4-10-21-11-14/h1-11H,12H2,(H,22,23).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 351.79 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).