6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

C9H4ClFN4O2 — CID 134284030

IUPAC6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESFc1cc2nc(Nc3nnco3)oc2cc1Cl
InChIInChI=1S/C9H4ClFN4O2/c10-4-1-7-6(2-5(4)11)13-8(17-7)14-9-15-12-3-16-9/h1-3H,(H,13,14,15)
InChIKeyMQMWEVUMFXPQLQ-UHFFFAOYSA-N
MW254.61 g/mol
LogP2.75
Rot. Bonds2

About 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine

6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 134284030) has the molecular formula C9H4ClFN4O2 and a molecular weight of 254.61 g/mol. Its IUPAC name is 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID134284030
Molecular FormulaC9H4ClFN4O2
Molecular Weight254.61 g/mol
Exact Mass254.00
IUPAC Name6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESFc1cc2nc(Nc3nnco3)oc2cc1Cl
InChIInChI=1S/C9H4ClFN4O2/c10-4-1-7-6(2-5(4)11)13-8(17-7)14-9-15-12-3-16-9/h1-3H,(H,13,14,15)
InChIKeyMQMWEVUMFXPQLQ-UHFFFAOYSA-N
XLogP2.75
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.61
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (CID 134284030) is 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is Fc1cc2nc(Nc3nnco3)oc2cc1Cl.
What is the InChIKey of 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is MQMWEVUMFXPQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFN4O2/c10-4-1-7-6(2-5(4)11)13-8(17-7)14-9-15-12-3-16-9/h1-3H,(H,13,14,15).
What are the key properties of 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 254.61 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134284030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).