2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid

C10H14N2O3 — CID 21064602

IUPAC2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid
SMILESCCCc1noc(C2CC2CC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-2-3-8-11-10(15-12-8)7-4-6(7)5-9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyKVBPCZPIRZKZBL-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid

2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid (PubChem CID 21064602) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid
PubChem CID21064602
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid
SMILESCCCc1noc(C2CC2CC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-2-3-8-11-10(15-12-8)7-4-6(7)5-9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyKVBPCZPIRZKZBL-UHFFFAOYSA-N
XLogP1.60
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid (CID 21064602) is 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid is CCCc1noc(C2CC2CC(=O)O)n1.
What is the InChIKey of 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid?
The InChIKey is KVBPCZPIRZKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-8-11-10(15-12-8)7-4-6(7)5-9(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid?
2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 21064602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).