4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine

C10H8Cl2N2O — CID 79555946

IUPAC4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-5-2-3-6(4-7(5)11)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyDOWMTUCYONWAMT-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.54
Rot. Bonds1

About 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine

4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 79555946) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID79555946
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-5-2-3-6(4-7(5)11)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyDOWMTUCYONWAMT-UHFFFAOYSA-N
XLogP3.54
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine (CID 79555946) is 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2Cl)cc1Cl.
What is the InChIKey of 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is DOWMTUCYONWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-5-2-3-6(4-7(5)11)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine?
4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 243.09 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79555946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).