N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C22H21N5O2 — CID 53043089

IUPACN-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCn1nccc1-c1cccc(-c2noc(C(C)NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C22H21N5O2/c1-3-27-19(12-13-23-27)17-10-7-11-18(14-17)20-25-22(29-26-20)15(2)24-21(28)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,24,28)
InChIKeyMNGZLQCSSOKAJK-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.11
Rot. Bonds6

About N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 53043089) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID53043089
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCn1nccc1-c1cccc(-c2noc(C(C)NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C22H21N5O2/c1-3-27-19(12-13-23-27)17-10-7-11-18(14-17)20-25-22(29-26-20)15(2)24-21(28)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,24,28)
InChIKeyMNGZLQCSSOKAJK-UHFFFAOYSA-N
XLogP4.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 95094183
N-[1-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172631
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
5-[1-(3-chlorophenoxy)ethyl]-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53012119
N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166519137
N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1R)-1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95102290
N-[1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172588
N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586339
N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586328
N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95092162

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 53043089) is N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CCn1nccc1-c1cccc(-c2noc(C(C)NC(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is MNGZLQCSSOKAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-27-19(12-13-23-27)17-10-7-11-18(14-17)20-25-22(29-26-20)15(2)24-21(28)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 53043089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).