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

C17H18ClN5O2 — CID 48507921

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
SMILESCCc1cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)n[nH]1
InChIInChI=1S/C17H18ClN5O2/c1-2-13-10-14(22-21-13)19-15(24)4-3-5-16-20-17(23-25-16)11-6-8-12(18)9-7-11/h6-10H,2-5H2,1H3,(H2,19,21,22,24)
InChIKeyLQFXPHZJMHKVRR-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.64
Rot. Bonds7

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide (PubChem CID 48507921) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
PubChem CID48507921
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
SMILESCCc1cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)n[nH]1
InChIInChI=1S/C17H18ClN5O2/c1-2-13-10-14(22-21-13)19-15(24)4-3-5-16-20-17(23-25-16)11-6-8-12(18)9-7-11/h6-10H,2-5H2,1H3,(H2,19,21,22,24)
InChIKeyLQFXPHZJMHKVRR-UHFFFAOYSA-N
XLogP3.64
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
CID 38739993
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
N-(4-chlorophenyl)-4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3161763
N-(5-ethyl-1H-pyrazol-3-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115593804
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38910434
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
CID 39896911
methyl (2S)-2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoate
CID 87040359

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide (CID 48507921) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide is CCc1cc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)n[nH]1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is LQFXPHZJMHKVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-2-13-10-14(22-21-13)19-15(24)4-3-5-16-20-17(23-25-16)11-6-8-12(18)9-7-11/h6-10H,2-5H2,1H3,(H2,19,21,22,24).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 359.82 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 48507921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).