7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine

C15H12F2N2O3 — CID 166066017

IUPAC7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine
SMILESCOc1ccc(F)c(F)c1COc1cc(N)cc2ncoc12
InChIInChI=1S/C15H12F2N2O3/c1-20-12-3-2-10(16)14(17)9(12)6-21-13-5-8(18)4-11-15(13)22-7-19-11/h2-5,7H,6,18H2,1H3
InChIKeyJADRZQZWBMXXRC-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.28
Rot. Bonds4

About 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine

7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine (PubChem CID 166066017) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine
PubChem CID166066017
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Name7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine
SMILESCOc1ccc(F)c(F)c1COc1cc(N)cc2ncoc12
InChIInChI=1S/C15H12F2N2O3/c1-20-12-3-2-10(16)14(17)9(12)6-21-13-5-8(18)4-11-15(13)22-7-19-11/h2-5,7H,6,18H2,1H3
InChIKeyJADRZQZWBMXXRC-UHFFFAOYSA-N
XLogP3.28
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine?
The IUPAC name of 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine (CID 166066017) is 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine is COc1ccc(F)c(F)c1COc1cc(N)cc2ncoc12.
What is the InChIKey of 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine?
The InChIKey is JADRZQZWBMXXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-20-12-3-2-10(16)14(17)9(12)6-21-13-5-8(18)4-11-15(13)22-7-19-11/h2-5,7H,6,18H2,1H3.
What are the key properties of 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine?
7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine has a molecular weight of 306.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 166066017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).