4-(6-methoxy-1,2-benzoxazol-3-yl)aniline

C14H12N2O2 — CID 82105934

IUPAC4-(6-methoxy-1,2-benzoxazol-3-yl)aniline
SMILESCOc1ccc2c(-c3ccc(N)cc3)noc2c1
InChIInChI=1S/C14H12N2O2/c1-17-11-6-7-12-13(8-11)18-16-14(12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3
InChIKeyUDWMVHYOMGHKOO-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.09
Rot. Bonds2

About 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline

4-(6-methoxy-1,2-benzoxazol-3-yl)aniline (PubChem CID 82105934) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline.

Molecular Properties

Compound Name4-(6-methoxy-1,2-benzoxazol-3-yl)aniline
PubChem CID82105934
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(6-methoxy-1,2-benzoxazol-3-yl)aniline
SMILESCOc1ccc2c(-c3ccc(N)cc3)noc2c1
InChIInChI=1S/C14H12N2O2/c1-17-11-6-7-12-13(8-11)18-16-14(12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3
InChIKeyUDWMVHYOMGHKOO-UHFFFAOYSA-N
XLogP3.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetamide
CID 39347761
ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 14012526
3-methoxy-1,2-benzoxazol-5-amine
CID 83668440
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine
CID 15040792
5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole
CID 15084637
3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
CID 5287551
3-(6-methoxy-1,2-benzoxazol-3-yl)-2-methyl-N-(trifluoromethyl)-1H-indol-6-amine
CID 163740462

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline?
The IUPAC name of 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline (CID 82105934) is 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline.
What is the SMILES notation for 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline?
The canonical SMILES for 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline is COc1ccc2c(-c3ccc(N)cc3)noc2c1.
What is the InChIKey of 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline?
The InChIKey is UDWMVHYOMGHKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-6-7-12-13(8-11)18-16-14(12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3.
What are the key properties of 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline?
4-(6-methoxy-1,2-benzoxazol-3-yl)aniline has a molecular weight of 240.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1,2-benzoxazol-3-yl)aniline is sourced from PubChem (CID 82105934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).