4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine

C9H8ClN3O — CID 130439181

IUPAC4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
SMILESNc1noc(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-5(4-6)7-8(11)13-14-9(7)12/h1-4H,12H2,(H2,11,13)
InChIKeyGWSPDTLPQCBDEF-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.16
Rot. Bonds1

About 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine

4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine (PubChem CID 130439181) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
PubChem CID130439181
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
SMILESNc1noc(N)c1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-5(4-6)7-8(11)13-14-9(7)12/h1-4H,12H2,(H2,11,13)
InChIKeyGWSPDTLPQCBDEF-UHFFFAOYSA-N
XLogP2.16
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine?
The IUPAC name of 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine (CID 130439181) is 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine?
The canonical SMILES for 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine is Nc1noc(N)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine?
The InChIKey is GWSPDTLPQCBDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-3-1-2-5(4-6)7-8(11)13-14-9(7)12/h1-4H,12H2,(H2,11,13).
What are the key properties of 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine?
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine has a molecular weight of 209.64 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine is sourced from PubChem (CID 130439181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).