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

C10H7FN4O2 — CID 134284122

IUPAC5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1cc2oc(Nc3nnco3)nc2cc1F
InChIInChI=1S/C10H7FN4O2/c1-5-2-8-7(3-6(5)11)13-9(17-8)14-10-15-12-4-16-10/h2-4H,1H3,(H,13,14,15)
InChIKeySBILZBCLSVWOTH-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.40
Rot. Bonds2

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

5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 134284122) has the molecular formula C10H7FN4O2 and a molecular weight of 234.19 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID134284122
Molecular FormulaC10H7FN4O2
Molecular Weight234.19 g/mol
Exact Mass234.06
IUPAC Name5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCc1cc2oc(Nc3nnco3)nc2cc1F
InChIInChI=1S/C10H7FN4O2/c1-5-2-8-7(3-6(5)11)13-9(17-8)14-10-15-12-4-16-10/h2-4H,1H3,(H,13,14,15)
InChIKeySBILZBCLSVWOTH-UHFFFAOYSA-N
XLogP2.40
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine (CID 134284122) is 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is Cc1cc2oc(Nc3nnco3)nc2cc1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is SBILZBCLSVWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2/c1-5-2-8-7(3-6(5)11)13-9(17-8)14-10-15-12-4-16-10/h2-4H,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine?
5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 234.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(1,3,4-oxadiazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134284122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).