5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole

C9H9N3O — CID 141133927

IUPAC5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
SMILESc1c[nH]c(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C9H9N3O/c1-2-7(10-5-1)8-11-9(13-12-8)6-3-4-6/h1-2,5-6,10H,3-4H2
InChIKeyVJSOSPDEPSIBOT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.94
Rot. Bonds2

About 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole (PubChem CID 141133927) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
PubChem CID141133927
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
SMILESc1c[nH]c(-c2noc(C3CC3)n2)c1
InChIInChI=1S/C9H9N3O/c1-2-7(10-5-1)8-11-9(13-12-8)6-3-4-6/h1-2,5-6,10H,3-4H2
InChIKeyVJSOSPDEPSIBOT-UHFFFAOYSA-N
XLogP1.94
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 136990360
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 136770990
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 136843995
3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 136984490
N-ethyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 136990369
4-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 136984611
N-propyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 137001669
(6-fluoro-3-pyridinyl)-[(3S)-3-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 135428841
1-cyclopropyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 136984473
N-propyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 136984474
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136847715

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole (CID 141133927) is 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole is c1c[nH]c(-c2noc(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole?
The InChIKey is VJSOSPDEPSIBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-7(10-5-1)8-11-9(13-12-8)6-3-4-6/h1-2,5-6,10H,3-4H2.
What are the key properties of 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole has a molecular weight of 175.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1H-pyrrol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 141133927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).