2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid

C4H3ClN2O3 — CID 83873114

IUPAC2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nnc(Cl)o1
InChIInChI=1S/C4H3ClN2O3/c5-4-7-6-2(10-4)1-3(8)9/h1H2,(H,8,9)
InChIKeyFPYTUHIGEYNUDE-UHFFFAOYSA-N
MW162.53 g/mol
LogP0.35
Rot. Bonds2

About 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid

2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid (PubChem CID 83873114) has the molecular formula C4H3ClN2O3 and a molecular weight of 162.53 g/mol. Its IUPAC name is 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid
PubChem CID83873114
Molecular FormulaC4H3ClN2O3
Molecular Weight162.53 g/mol
Exact Mass161.98
IUPAC Name2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nnc(Cl)o1
InChIInChI=1S/C4H3ClN2O3/c5-4-7-6-2(10-4)1-3(8)9/h1H2,(H,8,9)
InChIKeyFPYTUHIGEYNUDE-UHFFFAOYSA-N
XLogP0.35
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.53
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[5-(2-hydroperoxyethyl)-1,3,4-oxadiazol-2-yl]disulfanyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 20644092
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188
2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)acetic acid
CID 82470813
2-[5-(thiolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115028712
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
2-[5-[(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoylamino]propyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 135239017
2-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115021308
2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134589
2-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 4200420
2-chloro-5-(3-ethoxypropyl)-1,3,4-oxadiazole
CID 114771018
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid?
The IUPAC name of 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid (CID 83873114) is 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid is O=C(O)Cc1nnc(Cl)o1.
What is the InChIKey of 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid?
The InChIKey is FPYTUHIGEYNUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O3/c5-4-7-6-2(10-4)1-3(8)9/h1H2,(H,8,9).
What are the key properties of 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid?
2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid has a molecular weight of 162.53 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3,4-oxadiazol-2-yl)acetic acid is sourced from PubChem (CID 83873114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).