3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

C12H20N4O2 — CID 126824032

IUPAC3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc(C2CC2)no1
InChIInChI=1S/C12H20N4O2/c1-3-16(4-2)8-7-13-11(17)12-14-10(15-18-12)9-5-6-9/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyRLFRFBRNTQTGSF-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.02
Rot. Bonds7

About 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 126824032) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID126824032
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1nc(C2CC2)no1
InChIInChI=1S/C12H20N4O2/c1-3-16(4-2)8-7-13-11(17)12-14-10(15-18-12)9-5-6-9/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyRLFRFBRNTQTGSF-UHFFFAOYSA-N
XLogP1.02
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 86261821
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CID 45808513
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CID 47022082

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 126824032) is 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is CCN(CC)CCNC(=O)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RLFRFBRNTQTGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-16(4-2)8-7-13-11(17)12-14-10(15-18-12)9-5-6-9/h9H,3-8H2,1-2H3,(H,13,17).
What are the key properties of 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(diethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 126824032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).