2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide

C18H23N3O2 — CID 122567382

IUPAC2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
SMILESCCc1nnc(CNC(=O)C(c2ccccc2)C2CCCC2)o1
InChIInChI=1S/C18H23N3O2/c1-2-15-20-21-16(23-15)12-19-18(22)17(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3,(H,19,22)
InChIKeyTXOZTBNUWPNNBK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.22
Rot. Bonds6

About 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide

2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide (PubChem CID 122567382) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
PubChem CID122567382
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
SMILESCCc1nnc(CNC(=O)C(c2ccccc2)C2CCCC2)o1
InChIInChI=1S/C18H23N3O2/c1-2-15-20-21-16(23-15)12-19-18(22)17(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3,(H,19,22)
InChIKeyTXOZTBNUWPNNBK-UHFFFAOYSA-N
XLogP3.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide (CID 122567382) is 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide is CCc1nnc(CNC(=O)C(c2ccccc2)C2CCCC2)o1.
What is the InChIKey of 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
The InChIKey is TXOZTBNUWPNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-15-20-21-16(23-15)12-19-18(22)17(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3,(H,19,22).
What are the key properties of 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide?
2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 122567382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).