3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide

C20H22N4O2 — CID 91644573

IUPAC3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide
SMILESO=C(CCc1nnc(C2CCCC2)o1)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C20H22N4O2/c25-18(10-11-19-22-23-20(26-19)15-6-1-2-7-15)21-16-8-5-9-17(14-16)24-12-3-4-13-24/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,21,25)
InChIKeyXLTVKYPKJOKMPW-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.09
Rot. Bonds6

About 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide

3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide (PubChem CID 91644573) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide
PubChem CID91644573
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide
SMILESO=C(CCc1nnc(C2CCCC2)o1)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C20H22N4O2/c25-18(10-11-19-22-23-20(26-19)15-6-1-2-7-15)21-16-8-5-9-17(14-16)24-12-3-4-13-24/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,21,25)
InChIKeyXLTVKYPKJOKMPW-UHFFFAOYSA-N
XLogP4.09
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 26332890
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3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
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CID 82852468
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide
CID 136587710
1-[(1,1-dioxothian-4-yl)methyl]-3-(3-pyrrol-1-ylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide?
The IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide (CID 91644573) is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide?
The canonical SMILES for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide is O=C(CCc1nnc(C2CCCC2)o1)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide?
The InChIKey is XLTVKYPKJOKMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-18(10-11-19-22-23-20(26-19)15-6-1-2-7-15)21-16-8-5-9-17(14-16)24-12-3-4-13-24/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,21,25).
What are the key properties of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide?
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylphenyl)propanamide is sourced from PubChem (CID 91644573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).