5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide

C21H23N5O3 — CID 134080644

IUPAC5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide
SMILESCc1ccc(-c2noc(CCNC(=O)C3CC(c4ccc(O)cc4)NN3)n2)cc1
InChIInChI=1S/C21H23N5O3/c1-13-2-4-15(5-3-13)20-23-19(29-26-20)10-11-22-21(28)18-12-17(24-25-18)14-6-8-16(27)9-7-14/h2-9,17-18,24-25,27H,10-12H2,1H3,(H,22,28)
InChIKeyYMKNMMUZIUOGTL-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.02
Rot. Bonds6

About 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide

5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide (PubChem CID 134080644) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide
PubChem CID134080644
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide
SMILESCc1ccc(-c2noc(CCNC(=O)C3CC(c4ccc(O)cc4)NN3)n2)cc1
InChIInChI=1S/C21H23N5O3/c1-13-2-4-15(5-3-13)20-23-19(29-26-20)10-11-22-21(28)18-12-17(24-25-18)14-6-8-16(27)9-7-14/h2-9,17-18,24-25,27H,10-12H2,1H3,(H,22,28)
InChIKeyYMKNMMUZIUOGTL-UHFFFAOYSA-N
XLogP2.02
TPSA112.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119322806
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide
CID 134080235
N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
CID 120838741
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
cis-(1R,2S)-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131462
4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide
CID 134077005
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
3-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782319
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787986
2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide (CID 134080644) is 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide is Cc1ccc(-c2noc(CCNC(=O)C3CC(c4ccc(O)cc4)NN3)n2)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide?
The InChIKey is YMKNMMUZIUOGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-2-4-15(5-3-13)20-23-19(29-26-20)10-11-22-21(28)18-12-17(24-25-18)14-6-8-16(27)9-7-14/h2-9,17-18,24-25,27H,10-12H2,1H3,(H,22,28).
What are the key properties of 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide?
5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134080644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).