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

C19H14ClN3O2 — CID 139409693

IUPAC4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESClc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C19H14ClN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15/h1-11H,12H2,(H,22,23)
InChIKeyNDSZUDJYEHKGLF-UHFFFAOYSA-N
MW351.79 g/mol
LogP5.20
Rot. Bonds5

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

4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409693) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409693
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESClc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C19H14ClN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15/h1-11H,12H2,(H,22,23)
InChIKeyNDSZUDJYEHKGLF-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-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409693) is 4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Clc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is NDSZUDJYEHKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15/h1-11H,12H2,(H,22,23).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(3-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-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).