3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine

C10H8Cl2N2O2 — CID 82089694

IUPAC3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine
SMILESNc1cc(COc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C10H8Cl2N2O2/c11-8-2-1-7(4-9(8)12)15-5-6-3-10(13)16-14-6/h1-4H,5,13H2
InChIKeyDKXMXHYRUUPVLI-UHFFFAOYSA-N
MW259.09 g/mol
LogP3.14
Rot. Bonds3

About 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine

3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine (PubChem CID 82089694) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine
PubChem CID82089694
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine
SMILESNc1cc(COc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C10H8Cl2N2O2/c11-8-2-1-7(4-9(8)12)15-5-6-3-10(13)16-14-6/h1-4H,5,13H2
InChIKeyDKXMXHYRUUPVLI-UHFFFAOYSA-N
XLogP3.14
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082439
3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082438
5-[(3,4-dichlorophenoxy)methyl]benzene-1,3-diamine
CID 18763424
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 9137860
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63877646
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343
3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82080942
4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62466575

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine (CID 82089694) is 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine is Nc1cc(COc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine?
The InChIKey is DKXMXHYRUUPVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-8-2-1-7(4-9(8)12)15-5-6-3-10(13)16-14-6/h1-4H,5,13H2.
What are the key properties of 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine?
3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine has a molecular weight of 259.09 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenoxy)methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 82089694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).