4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

C9H4Cl2N4O2 — CID 134284162

IUPAC4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESClc1cc(Cl)c2nc(Nc3nnco3)oc2c1
InChIInChI=1S/C9H4Cl2N4O2/c10-4-1-5(11)7-6(2-4)17-8(13-7)14-9-15-12-3-16-9/h1-3H,(H,13,14,15)
InChIKeyTWYDFRRSJDRWKG-UHFFFAOYSA-N
MW271.06 g/mol
LogP3.26
Rot. Bonds2

About 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 134284162) has the molecular formula C9H4Cl2N4O2 and a molecular weight of 271.06 g/mol. Its IUPAC name is 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID134284162
Molecular FormulaC9H4Cl2N4O2
Molecular Weight271.06 g/mol
Exact Mass269.97
IUPAC Name4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESClc1cc(Cl)c2nc(Nc3nnco3)oc2c1
InChIInChI=1S/C9H4Cl2N4O2/c10-4-1-5(11)7-6(2-4)17-8(13-7)14-9-15-12-3-16-9/h1-3H,(H,13,14,15)
InChIKeyTWYDFRRSJDRWKG-UHFFFAOYSA-N
XLogP3.26
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (CID 134284162) is 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is Clc1cc(Cl)c2nc(Nc3nnco3)oc2c1.
What is the InChIKey of 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is TWYDFRRSJDRWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N4O2/c10-4-1-5(11)7-6(2-4)17-8(13-7)14-9-15-12-3-16-9/h1-3H,(H,13,14,15).
What are the key properties of 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 271.06 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134284162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).