7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine

C20H16FN3O3 — CID 90645210

IUPAC7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine
SMILESCOc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)n1
InChIInChI=1S/C20H16FN3O3/c1-25-15-9-4-7-13(21)18(15)12-6-3-8-14-19(12)27-20(22-14)24-16-10-5-11-17(23-16)26-2/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLRHLPBFCDHGQOT-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.79
Rot. Bonds5

About 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine

7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine (PubChem CID 90645210) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine
PubChem CID90645210
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine
SMILESCOc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)n1
InChIInChI=1S/C20H16FN3O3/c1-25-15-9-4-7-13(21)18(15)12-6-3-8-14-19(12)27-20(22-14)24-16-10-5-11-17(23-16)26-2/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLRHLPBFCDHGQOT-UHFFFAOYSA-N
XLogP4.79
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine (CID 90645210) is 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine is COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)n1.
What is the InChIKey of 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine?
The InChIKey is LRHLPBFCDHGQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-25-15-9-4-7-13(21)18(15)12-6-3-8-14-19(12)27-20(22-14)24-16-10-5-11-17(23-16)26-2/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine?
7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine has a molecular weight of 365.36 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-methoxyphenyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 90645210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).