4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide

C13H16ClN7O2 — CID 73376599

IUPAC4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2ccccc2Cl)no1)NC1NNNN1
InChIInChI=1S/C13H16ClN7O2/c14-9-5-2-1-4-8(9)12-16-11(23-19-12)7-3-6-10(22)15-13-17-20-21-18-13/h1-2,4-5,13,17-18,20-21H,3,6-7H2,(H,15,22)
InChIKeyRCBUXIPHBVYSGV-UHFFFAOYSA-N
MW337.77 g/mol
LogP0.23
Rot. Bonds6

About 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide (PubChem CID 73376599) has the molecular formula C13H16ClN7O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide
PubChem CID73376599
Molecular FormulaC13H16ClN7O2
Molecular Weight337.77 g/mol
Exact Mass337.11
IUPAC Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2ccccc2Cl)no1)NC1NNNN1
InChIInChI=1S/C13H16ClN7O2/c14-9-5-2-1-4-8(9)12-16-11(23-19-12)7-3-6-10(22)15-13-17-20-21-18-13/h1-2,4-5,13,17-18,20-21H,3,6-7H2,(H,15,22)
InChIKeyRCBUXIPHBVYSGV-UHFFFAOYSA-N
XLogP0.23
TPSA116.14 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 50.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)butanamide
CID 2979926
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenoxybutanamide
CID 110323943
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 95850089
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 100758002
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]butan-1-one
CID 131897438
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 133209724
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide
CID 4969886
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide (CID 73376599) is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide is O=C(CCCc1nc(-c2ccccc2Cl)no1)NC1NNNN1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide?
The InChIKey is RCBUXIPHBVYSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN7O2/c14-9-5-2-1-4-8(9)12-16-11(23-19-12)7-3-6-10(22)15-13-17-20-21-18-13/h1-2,4-5,13,17-18,20-21H,3,6-7H2,(H,15,22).
What are the key properties of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide?
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide has a molecular weight of 337.77 g/mol, XLogP of 0.23, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrazolidin-5-yl)butanamide is sourced from PubChem (CID 73376599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).