3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C17H23N5O2 — CID 75271181

IUPAC3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC1NNC(C)C1CCC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N5O2/c1-11-14(12(2)21-20-11)8-9-15(23)18-10-16-19-17(22-24-16)13-6-4-3-5-7-13/h3-7,11-12,14,20-21H,8-10H2,1-2H3,(H,18,23)
InChIKeyKXCMBSFUDXAHMM-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.63
Rot. Bonds6

About 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 75271181) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID75271181
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC1NNC(C)C1CCC(=O)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N5O2/c1-11-14(12(2)21-20-11)8-9-15(23)18-10-16-19-17(22-24-16)13-6-4-3-5-7-13/h3-7,11-12,14,20-21H,8-10H2,1-2H3,(H,18,23)
InChIKeyKXCMBSFUDXAHMM-UHFFFAOYSA-N
XLogP1.63
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
4-(2-fluorophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxobutanamide
CID 110632195
2-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 83624712
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 110293525
3-benzylsulfanyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8798123
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850
4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 8835515

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 75271181) is 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC1NNC(C)C1CCC(=O)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is KXCMBSFUDXAHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-14(12(2)21-20-11)8-9-15(23)18-10-16-19-17(22-24-16)13-6-4-3-5-7-13/h3-7,11-12,14,20-21H,8-10H2,1-2H3,(H,18,23).
What are the key properties of 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 75271181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).