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

C7H9N3O — CID 174554820

IUPAC3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole
SMILESCC1C=C(c2ncon2)CN1
InChIInChI=1S/C7H9N3O/c1-5-2-6(3-8-5)7-9-4-11-10-7/h2,4-5,8H,3H2,1H3
InChIKeySRFWVYAPRRPFDA-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.44
Rot. Bonds1

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

3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole (PubChem CID 174554820) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole
PubChem CID174554820
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole
SMILESCC1C=C(c2ncon2)CN1
InChIInChI=1S/C7H9N3O/c1-5-2-6(3-8-5)7-9-4-11-10-7/h2,4-5,8H,3H2,1H3
InChIKeySRFWVYAPRRPFDA-UHFFFAOYSA-N
XLogP0.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pent-2-en-3-yl-1,2,4-oxadiazole
CID 91112920
3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole
CID 141175199
3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole
CID 141175205
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
CID 142672393
(E)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-2-en-1-amine
CID 106400411
2-methylidene-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butan-1-amine
CID 106400490
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-2-en-1-amine
CID 106400557
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]prop-2-en-1-amine
CID 106400739
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
CID 106400764
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohex-2-en-1-amine
CID 106401033

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole (CID 174554820) is 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole is CC1C=C(c2ncon2)CN1.
What is the InChIKey of 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole?
The InChIKey is SRFWVYAPRRPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-5-2-6(3-8-5)7-9-4-11-10-7/h2,4-5,8H,3H2,1H3.
What are the key properties of 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole?
3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole has a molecular weight of 151.17 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2,5-dihydro-1H-pyrrol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 174554820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).