4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C19H13Cl2N3O2 — CID 139409534

IUPAC4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESClc1cccc(Cl)c1COc1cccc2onc(Nc3cccnc3)c12
InChIInChI=1S/C19H13Cl2N3O2/c20-14-5-1-6-15(21)13(14)11-25-16-7-2-8-17-18(16)19(24-26-17)23-12-4-3-9-22-10-12/h1-10H,11H2,(H,23,24)
InChIKeyHSMJBWDKCJTSAG-UHFFFAOYSA-N
MW386.24 g/mol
LogP5.85
Rot. Bonds5

About 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409534) has the molecular formula C19H13Cl2N3O2 and a molecular weight of 386.24 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409534
Molecular FormulaC19H13Cl2N3O2
Molecular Weight386.24 g/mol
Exact Mass385.04
IUPAC Name4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESClc1cccc(Cl)c1COc1cccc2onc(Nc3cccnc3)c12
InChIInChI=1S/C19H13Cl2N3O2/c20-14-5-1-6-15(21)13(14)11-25-16-7-2-8-17-18(16)19(24-26-17)23-12-4-3-9-22-10-12/h1-10H,11H2,(H,23,24)
InChIKeyHSMJBWDKCJTSAG-UHFFFAOYSA-N
XLogP5.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.24
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409534) is 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Clc1cccc(Cl)c1COc1cccc2onc(Nc3cccnc3)c12.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is HSMJBWDKCJTSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2/c20-14-5-1-6-15(21)13(14)11-25-16-7-2-8-17-18(16)19(24-26-17)23-12-4-3-9-22-10-12/h1-10H,11H2,(H,23,24).
What are the key properties of 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 386.24 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).