6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine

C14H11ClN2O2 — CID 10221194

IUPAC6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine
SMILESNc1noc2cc(COc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C14H11ClN2O2/c15-10-2-4-11(5-3-10)18-8-9-1-6-12-13(7-9)19-17-14(12)16/h1-7H,8H2,(H2,16,17)
InChIKeyXCNCDWRUYAQGQQ-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.64
Rot. Bonds3

About 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine

6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine (PubChem CID 10221194) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine
PubChem CID10221194
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine
SMILESNc1noc2cc(COc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C14H11ClN2O2/c15-10-2-4-11(5-3-10)18-8-9-1-6-12-13(7-9)19-17-14(12)16/h1-7H,8H2,(H2,16,17)
InChIKeyXCNCDWRUYAQGQQ-UHFFFAOYSA-N
XLogP3.64
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-chloro-4-(trifluoromethoxy)phenoxy]methyl]-1,2-benzoxazol-3-amine
CID 151731171
6-[(3-chlorophenyl)methoxy]-1H-indazol-3-amine
CID 126696122
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
7-[(4-chlorophenyl)methoxy]chromen-4-one
CID 70702064
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776
5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine
CID 117214491
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 23789762
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 105350569
5-[(4-chlorophenyl)methoxy]-2-fluoropyridine
CID 115282951
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine (CID 10221194) is 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine is Nc1noc2cc(COc3ccc(Cl)cc3)ccc12.
What is the InChIKey of 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine?
The InChIKey is XCNCDWRUYAQGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-10-2-4-11(5-3-10)18-8-9-1-6-12-13(7-9)19-17-14(12)16/h1-7H,8H2,(H2,16,17).
What are the key properties of 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine?
6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine has a molecular weight of 274.71 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenoxy)methyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 10221194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).