3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one

C7H11N5O2 — CID 137266999

IUPAC3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(CCNC2=NCCN2)no1
InChIInChI=1S/C7H11N5O2/c13-7-11-5(12-14-7)1-2-8-6-9-3-4-10-6/h1-4H2,(H2,8,9,10)(H,11,12,13)
InChIKeyRIAPVFNCNJKJEV-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.55
Rot. Bonds3

About 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one

3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137266999) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID137266999
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(CCNC2=NCCN2)no1
InChIInChI=1S/C7H11N5O2/c13-7-11-5(12-14-7)1-2-8-6-9-3-4-10-6/h1-4H2,(H2,8,9,10)(H,11,12,13)
InChIKeyRIAPVFNCNJKJEV-UHFFFAOYSA-N
XLogP-1.55
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one (CID 137266999) is 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(CCNC2=NCCN2)no1.
What is the InChIKey of 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is RIAPVFNCNJKJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c13-7-11-5(12-14-7)1-2-8-6-9-3-4-10-6/h1-4H2,(H2,8,9,10)(H,11,12,13).
What are the key properties of 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 197.20 g/mol, XLogP of -1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137266999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).