1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

C17H19N3O4 — CID 71897423

IUPAC1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1nnc(-c2ccccc2)o1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C17H19N3O4/c21-13(18-17(16(22)23)10-4-5-11-17)8-9-14-19-20-15(24-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,18,21)(H,22,23)
InChIKeyCKDNULYJCNMRJI-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.18
Rot. Bonds6

About 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 71897423) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID71897423
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1nnc(-c2ccccc2)o1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C17H19N3O4/c21-13(18-17(16(22)23)10-4-5-11-17)8-9-14-19-20-15(24-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,18,21)(H,22,23)
InChIKeyCKDNULYJCNMRJI-UHFFFAOYSA-N
XLogP2.18
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
CID 30006017
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 111332905
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 71897423) is 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCc1nnc(-c2ccccc2)o1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is CKDNULYJCNMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-13(18-17(16(22)23)10-4-5-11-17)8-9-14-19-20-15(24-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,18,21)(H,22,23).
What are the key properties of 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 71897423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).