4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide

C15H21N5O3 — CID 90648377

IUPAC4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
SMILESO=C(CCCn1ccnc1)NCCc1noc(C2CCCO2)n1
InChIInChI=1S/C15H21N5O3/c21-14(4-1-8-20-9-7-16-11-20)17-6-5-13-18-15(23-19-13)12-3-2-10-22-12/h7,9,11-12H,1-6,8,10H2,(H,17,21)
InChIKeyIHFORFFBKBRRLP-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.26
Rot. Bonds8

About 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide

4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide (PubChem CID 90648377) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
PubChem CID90648377
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
SMILESO=C(CCCn1ccnc1)NCCc1noc(C2CCCO2)n1
InChIInChI=1S/C15H21N5O3/c21-14(4-1-8-20-9-7-16-11-20)17-6-5-13-18-15(23-19-13)12-3-2-10-22-12/h7,9,11-12H,1-6,8,10H2,(H,17,21)
InChIKeyIHFORFFBKBRRLP-UHFFFAOYSA-N
XLogP1.26
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The IUPAC name of 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide (CID 90648377) is 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide is O=C(CCCn1ccnc1)NCCc1noc(C2CCCO2)n1.
What is the InChIKey of 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The InChIKey is IHFORFFBKBRRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c21-14(4-1-8-20-9-7-16-11-20)17-6-5-13-18-15(23-19-13)12-3-2-10-22-12/h7,9,11-12H,1-6,8,10H2,(H,17,21).
What are the key properties of 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide has a molecular weight of 319.37 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide is sourced from PubChem (CID 90648377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).