4-(1,3,4-oxadiazol-2-yl)butanoic acid

C6H8N2O3 — CID 39235436

IUPAC4-(1,3,4-oxadiazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nnco1
InChIInChI=1S/C6H8N2O3/c9-6(10)3-1-2-5-8-7-4-11-5/h4H,1-3H2,(H,9,10)
InChIKeyZCSWOTPSQNPZSP-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.48
Rot. Bonds4

About 4-(1,3,4-oxadiazol-2-yl)butanoic acid

4-(1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 39235436) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-(1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID39235436
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name4-(1,3,4-oxadiazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nnco1
InChIInChI=1S/C6H8N2O3/c9-6(10)3-1-2-5-8-7-4-11-5/h4H,1-3H2,(H,9,10)
InChIKeyZCSWOTPSQNPZSP-UHFFFAOYSA-N
XLogP0.48
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
3-(1,3,4-oxadiazol-2-ylsulfanyl)propanoic acid
CID 23006614
5-(5-methyl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 60911040
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912450
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
5-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 114822230
4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid
CID 84667621
5-(1,2-oxazol-3-yl)pentanoic acid
CID 174347954

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 4-(1,3,4-oxadiazol-2-yl)butanoic acid (CID 39235436) is 4-(1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 4-(1,3,4-oxadiazol-2-yl)butanoic acid is O=C(O)CCCc1nnco1.
What is the InChIKey of 4-(1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is ZCSWOTPSQNPZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-6(10)3-1-2-5-8-7-4-11-5/h4H,1-3H2,(H,9,10).
What are the key properties of 4-(1,3,4-oxadiazol-2-yl)butanoic acid?
4-(1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 156.14 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 39235436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).