4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid

C19H17FN4O4 — CID 59464318

IUPAC4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
InChIInChI=1S/C19H17FN4O4/c20-14-5-1-2-6-15(14)22-19-24-23-18(28-19)17(27)21-13-10-8-12(9-11-13)4-3-7-16(25)26/h1-2,5-6,8-11H,3-4,7H2,(H,21,27)(H,22,24)(H,25,26)
InChIKeyOOYCDLIDFANZKH-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.61
Rot. Bonds8

About 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid

4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid (PubChem CID 59464318) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid
PubChem CID59464318
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1
InChIInChI=1S/C19H17FN4O4/c20-14-5-1-2-6-15(14)22-19-24-23-18(28-19)17(27)21-13-10-8-12(9-11-13)4-3-7-16(25)26/h1-2,5-6,8-11H,3-4,7H2,(H,21,27)(H,22,24)(H,25,26)
InChIKeyOOYCDLIDFANZKH-UHFFFAOYSA-N
XLogP3.61
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid?
The IUPAC name of 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid (CID 59464318) is 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid is O=C(O)CCCc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1.
What is the InChIKey of 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid?
The InChIKey is OOYCDLIDFANZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c20-14-5-1-2-6-15(14)22-19-24-23-18(28-19)17(27)21-13-10-8-12(9-11-13)4-3-7-16(25)26/h1-2,5-6,8-11H,3-4,7H2,(H,21,27)(H,22,24)(H,25,26).
What are the key properties of 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid?
4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid has a molecular weight of 384.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]butanoic acid is sourced from PubChem (CID 59464318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).