[5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate

C11H10FN3O3 — CID 59464289

IUPAC[5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate
SMILESCCC(=O)Oc1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C11H10FN3O3/c1-2-9(16)17-11-15-14-10(18-11)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H,13,14)
InChIKeyMFJFLNDHRHLLLW-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.27
Rot. Bonds4

About [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate

[5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate (PubChem CID 59464289) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate.

Molecular Properties

Compound Name[5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate
PubChem CID59464289
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name[5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate
SMILESCCC(=O)Oc1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C11H10FN3O3/c1-2-9(16)17-11-15-14-10(18-11)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H,13,14)
InChIKeyMFJFLNDHRHLLLW-UHFFFAOYSA-N
XLogP2.27
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968128
2-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]sulfanylacetic acid
CID 68686576
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
5-(2-fluoroanilino)-N-(3-methylmorpholin-4-yl)-1,3,4-oxadiazole-2-carboxamide
CID 91203205
N-(2,3-difluorophenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969735
N-(2-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 118703828
(Z)-2-ethyl-4-(2-fluoroanilino)but-2-enoic acid
CID 103235463
2-N-(2,3-difluorophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436713
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134
CID 161494205
CID 161494205
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
acetamide;phenyl propanoate
CID 175120271

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate?
The IUPAC name of [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate (CID 59464289) is [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate.
What is the SMILES notation for [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate?
The canonical SMILES for [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate is CCC(=O)Oc1nnc(Nc2ccccc2F)o1.
What is the InChIKey of [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate?
The InChIKey is MFJFLNDHRHLLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-2-9(16)17-11-15-14-10(18-11)13-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate?
[5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate has a molecular weight of 251.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoroanilino)-1,3,4-oxadiazol-2-yl] propanoate is sourced from PubChem (CID 59464289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).