2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide

C17H16ClN5O2 — CID 166201798

IUPAC2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide
SMILESCC(C)(C(=O)NNc1nc(-c2ccncc2)no1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN5O2/c1-17(2,12-5-3-4-6-13(12)18)15(24)21-22-16-20-14(23-25-16)11-7-9-19-10-8-11/h3-10H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyAVKWIQCVUFQICJ-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide

2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide (PubChem CID 166201798) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide
PubChem CID166201798
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide
SMILESCC(C)(C(=O)NNc1nc(-c2ccncc2)no1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN5O2/c1-17(2,12-5-3-4-6-13(12)18)15(24)21-22-16-20-14(23-25-16)11-7-9-19-10-8-11/h3-10H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyAVKWIQCVUFQICJ-UHFFFAOYSA-N
XLogP3.21
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 146124489
5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
CID 166223773
2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide
CID 167945271
2-fluoro-4-methoxy-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
CID 166189120
4-(difluoromethoxy)-3-fluoro-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
CID 166185456
N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520979
N-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 122581614
N-tert-butyl-3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-amine
CID 103445283
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
CID 41466930
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide?
The IUPAC name of 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide (CID 166201798) is 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide?
The canonical SMILES for 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide is CC(C)(C(=O)NNc1nc(-c2ccncc2)no1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide?
The InChIKey is AVKWIQCVUFQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-17(2,12-5-3-4-6-13(12)18)15(24)21-22-16-20-14(23-25-16)11-7-9-19-10-8-11/h3-10H,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide?
2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide has a molecular weight of 357.80 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-methyl-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanehydrazide is sourced from PubChem (CID 166201798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).