2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide

C17H21N5O3 — CID 139010784

IUPAC2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide
SMILESCc1nc(C2(NC(=O)CNc3ccccc3C(N)=O)CCCC2)no1
InChIInChI=1S/C17H21N5O3/c1-11-20-16(22-25-11)17(8-4-5-9-17)21-14(23)10-19-13-7-3-2-6-12(13)15(18)24/h2-3,6-7,19H,4-5,8-10H2,1H3,(H2,18,24)(H,21,23)
InChIKeyPYKDJXCNMGEQNR-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.47
Rot. Bonds6

About 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide

2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide (PubChem CID 139010784) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide
PubChem CID139010784
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide
SMILESCc1nc(C2(NC(=O)CNc3ccccc3C(N)=O)CCCC2)no1
InChIInChI=1S/C17H21N5O3/c1-11-20-16(22-25-11)17(8-4-5-9-17)21-14(23)10-19-13-7-3-2-6-12(13)15(18)24/h2-3,6-7,19H,4-5,8-10H2,1H3,(H2,18,24)(H,21,23)
InChIKeyPYKDJXCNMGEQNR-UHFFFAOYSA-N
XLogP1.47
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
2-chloro-N-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55622366
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55980725
5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736472
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55872142
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 47084614
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622293
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CID 31163791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide (CID 139010784) is 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide is Cc1nc(C2(NC(=O)CNc3ccccc3C(N)=O)CCCC2)no1.
What is the InChIKey of 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide?
The InChIKey is PYKDJXCNMGEQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-20-16(22-25-11)17(8-4-5-9-17)21-14(23)10-19-13-7-3-2-6-12(13)15(18)24/h2-3,6-7,19H,4-5,8-10H2,1H3,(H2,18,24)(H,21,23).
What are the key properties of 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide?
2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide has a molecular weight of 343.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 139010784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).