4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid

C20H23N3O4 — CID 120549929

IUPAC4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
SMILESO=C(CCc1ccc(C(=O)O)cc1)NC1(c2noc(C3CC3)n2)CCCC1
InChIInChI=1S/C20H23N3O4/c24-16(10-5-13-3-6-15(7-4-13)18(25)26)22-20(11-1-2-12-20)19-21-17(27-23-19)14-8-9-14/h3-4,6-7,14H,1-2,5,8-12H2,(H,22,24)(H,25,26)
InChIKeyDYAMMLQHLRKTFS-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.16
Rot. Bonds7

About 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid

4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid (PubChem CID 120549929) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
PubChem CID120549929
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
SMILESO=C(CCc1ccc(C(=O)O)cc1)NC1(c2noc(C3CC3)n2)CCCC1
InChIInChI=1S/C20H23N3O4/c24-16(10-5-13-3-6-15(7-4-13)18(25)26)22-20(11-1-2-12-20)19-21-17(27-23-19)14-8-9-14/h3-4,6-7,14H,1-2,5,8-12H2,(H,22,24)(H,25,26)
InChIKeyDYAMMLQHLRKTFS-UHFFFAOYSA-N
XLogP3.16
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid with MolForge

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
CID 71912289
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 71864405
4-[[4-[3-[1-[(cyclopropylamino)methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]benzoic acid
CID 155266141
3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 31164348
2-[3-[[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid
CID 120549906
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 60514358
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 43045493
3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
CID 53181974
N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide
CID 99818745
4-[3-(1-adamantylamino)-3-oxopropyl]benzoic acid
CID 119181033
4-[3-[(1-carbamoylcyclopentyl)methylamino]-3-oxopropyl]benzoic acid
CID 119185599
4-[3-oxo-3-(spiro[2.5]octan-2-ylamino)propyl]benzoic acid
CID 120692331

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid?
The IUPAC name of 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid (CID 120549929) is 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid.
What is the SMILES notation for 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid?
The canonical SMILES for 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid is O=C(CCc1ccc(C(=O)O)cc1)NC1(c2noc(C3CC3)n2)CCCC1.
What is the InChIKey of 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid?
The InChIKey is DYAMMLQHLRKTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-16(10-5-13-3-6-15(7-4-13)18(25)26)22-20(11-1-2-12-20)19-21-17(27-23-19)14-8-9-14/h3-4,6-7,14H,1-2,5,8-12H2,(H,22,24)(H,25,26).
What are the key properties of 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid?
4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid has a molecular weight of 369.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]benzoic acid is sourced from PubChem (CID 120549929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).