N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide

C15H19N3O3 — CID 71781011

IUPACN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide
SMILESCOCCc1nnc(NC(=O)CCCc2ccccc2)o1
InChIInChI=1S/C15H19N3O3/c1-20-11-10-14-17-18-15(21-14)16-13(19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,16,18,19)
InChIKeyPBGUHKUJWUQGGM-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.22
Rot. Bonds8

About N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide

N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide (PubChem CID 71781011) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide
PubChem CID71781011
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide
SMILESCOCCc1nnc(NC(=O)CCCc2ccccc2)o1
InChIInChI=1S/C15H19N3O3/c1-20-11-10-14-17-18-15(21-14)16-13(19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,16,18,19)
InChIKeyPBGUHKUJWUQGGM-UHFFFAOYSA-N
XLogP2.22
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide?
The IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide (CID 71781011) is N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide?
The canonical SMILES for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide is COCCc1nnc(NC(=O)CCCc2ccccc2)o1.
What is the InChIKey of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide?
The InChIKey is PBGUHKUJWUQGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-11-10-14-17-18-15(21-14)16-13(19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,16,18,19).
What are the key properties of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide?
N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide has a molecular weight of 289.34 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 71781011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).