3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline

C11H11ClN2O2 — CID 68883487

IUPAC3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline
SMILESCc1cc(COc2ccc(N)cc2Cl)on1
InChIInChI=1S/C11H11ClN2O2/c1-7-4-9(16-14-7)6-15-11-3-2-8(13)5-10(11)12/h2-5H,6,13H2,1H3
InChIKeyHGEYHDSEDCRFLX-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.80
Rot. Bonds3

About 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline

3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline (PubChem CID 68883487) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline
PubChem CID68883487
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline
SMILESCc1cc(COc2ccc(N)cc2Cl)on1
InChIInChI=1S/C11H11ClN2O2/c1-7-4-9(16-14-7)6-15-11-3-2-8(13)5-10(11)12/h2-5H,6,13H2,1H3
InChIKeyHGEYHDSEDCRFLX-UHFFFAOYSA-N
XLogP2.80
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.80
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

3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 63044789
2-[5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 107700392
(1S)-1-[5-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 63367192
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 115401922
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
CID 11459043

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline?
The IUPAC name of 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline (CID 68883487) is 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline.
What is the SMILES notation for 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline?
The canonical SMILES for 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline is Cc1cc(COc2ccc(N)cc2Cl)on1.
What is the InChIKey of 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline?
The InChIKey is HGEYHDSEDCRFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7-4-9(16-14-7)6-15-11-3-2-8(13)5-10(11)12/h2-5H,6,13H2,1H3.
What are the key properties of 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline?
3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline has a molecular weight of 238.67 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline is sourced from PubChem (CID 68883487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).