3-(2-methoxy-1,3-oxazol-5-yl)aniline

C10H10N2O2 — CID 154683552

IUPAC3-(2-methoxy-1,3-oxazol-5-yl)aniline
SMILESCOc1ncc(-c2cccc(N)c2)o1
InChIInChI=1S/C10H10N2O2/c1-13-10-12-6-9(14-10)7-3-2-4-8(11)5-7/h2-6H,11H2,1H3
InChIKeyJZZHAMFWDRYPAV-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.93
Rot. Bonds2

About 3-(2-methoxy-1,3-oxazol-5-yl)aniline

3-(2-methoxy-1,3-oxazol-5-yl)aniline (PubChem CID 154683552) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(2-methoxy-1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name3-(2-methoxy-1,3-oxazol-5-yl)aniline
PubChem CID154683552
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(2-methoxy-1,3-oxazol-5-yl)aniline
SMILESCOc1ncc(-c2cccc(N)c2)o1
InChIInChI=1S/C10H10N2O2/c1-13-10-12-6-9(14-10)7-3-2-4-8(11)5-7/h2-6H,11H2,1H3
InChIKeyJZZHAMFWDRYPAV-UHFFFAOYSA-N
XLogP1.93
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.93
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-methoxy-5-phenyl-1,3-oxazole
CID 69332700
3-(2-propyl-1,3-oxazol-5-yl)aniline
CID 154683063
3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline
CID 100802212
3-(2-methoxy-1,3-thiazol-5-yl)aniline
CID 130593160
3-(5-methoxy-1,2-oxazol-3-yl)aniline
CID 154683547
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
1-[5-(3-aminophenyl)furan-2-yl]ethanone
CID 165461195
6-(3-aminophenyl)-3-methoxypyridin-2-amine
CID 82556270
3-[6-(3-aminophenyl)-3-pyridinyl]aniline
CID 141227137
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
5-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 174662219
5-(3-aminophenyl)-N-[(3S,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-oxazole-2-carboxamide
CID 10267681

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-1,3-oxazol-5-yl)aniline?
The IUPAC name of 3-(2-methoxy-1,3-oxazol-5-yl)aniline (CID 154683552) is 3-(2-methoxy-1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 3-(2-methoxy-1,3-oxazol-5-yl)aniline?
The canonical SMILES for 3-(2-methoxy-1,3-oxazol-5-yl)aniline is COc1ncc(-c2cccc(N)c2)o1.
What is the InChIKey of 3-(2-methoxy-1,3-oxazol-5-yl)aniline?
The InChIKey is JZZHAMFWDRYPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-13-10-12-6-9(14-10)7-3-2-4-8(11)5-7/h2-6H,11H2,1H3.
What are the key properties of 3-(2-methoxy-1,3-oxazol-5-yl)aniline?
3-(2-methoxy-1,3-oxazol-5-yl)aniline has a molecular weight of 190.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 154683552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).