N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine

C16H11FN4O3 — CID 73387119

IUPACN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine
SMILESCOc1cccc2oc(Nc3nnc(-c4cccc(F)c4)o3)nc12
InChIInChI=1S/C16H11FN4O3/c1-22-11-6-3-7-12-13(11)18-15(23-12)19-16-21-20-14(24-16)9-4-2-5-10(17)8-9/h2-8H,1H3,(H,18,19,21)
InChIKeyJTSPSDKNBQNVOK-UHFFFAOYSA-N
MW326.29 g/mol
LogP3.77
Rot. Bonds4

About N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine (PubChem CID 73387119) has the molecular formula C16H11FN4O3 and a molecular weight of 326.29 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine
PubChem CID73387119
Molecular FormulaC16H11FN4O3
Molecular Weight326.29 g/mol
Exact Mass326.08
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine
SMILESCOc1cccc2oc(Nc3nnc(-c4cccc(F)c4)o3)nc12
InChIInChI=1S/C16H11FN4O3/c1-22-11-6-3-7-12-13(11)18-15(23-12)19-16-21-20-14(24-16)9-4-2-5-10(17)8-9/h2-8H,1H3,(H,18,19,21)
InChIKeyJTSPSDKNBQNVOK-UHFFFAOYSA-N
XLogP3.77
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine (CID 73387119) is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine is COc1cccc2oc(Nc3nnc(-c4cccc(F)c4)o3)nc12.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine?
The InChIKey is JTSPSDKNBQNVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O3/c1-22-11-6-3-7-12-13(11)18-15(23-12)19-16-21-20-14(24-16)9-4-2-5-10(17)8-9/h2-8H,1H3,(H,18,19,21).
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine?
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine has a molecular weight of 326.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-1,3-benzoxazol-2-amine is sourced from PubChem (CID 73387119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).