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

C13H17N3O3 — CID 53211881

IUPAC2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid
SMILESCCCc1nnc(-c2c(C)cc(C)n2CC(=O)O)o1
InChIInChI=1S/C13H17N3O3/c1-4-5-10-14-15-13(19-10)12-8(2)6-9(3)16(12)7-11(17)18/h6H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyUCIDVUMZCLDVFD-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.19
Rot. Bonds5

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

2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid (PubChem CID 53211881) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid
PubChem CID53211881
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid
SMILESCCCc1nnc(-c2c(C)cc(C)n2CC(=O)O)o1
InChIInChI=1S/C13H17N3O3/c1-4-5-10-14-15-13(19-10)12-8(2)6-9(3)16(12)7-11(17)18/h6H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyUCIDVUMZCLDVFD-UHFFFAOYSA-N
XLogP2.19
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid (CID 53211881) is 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid is CCCc1nnc(-c2c(C)cc(C)n2CC(=O)O)o1.
What is the InChIKey of 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid?
The InChIKey is UCIDVUMZCLDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-5-10-14-15-13(19-10)12-8(2)6-9(3)16(12)7-11(17)18/h6H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid?
2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-2-(5-propyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 53211881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).