2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide

C20H23N5O3 — CID 55712838

IUPAC2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide
SMILESCc1noc(CCCC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)n1
InChIInChI=1S/C20H23N5O3/c1-13-12-17(14(2)25(13)16-8-5-4-6-9-16)20(27)23-22-18(26)10-7-11-19-21-15(3)24-28-19/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyMUVSGVXPQOIYOD-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.57
Rot. Bonds6

About 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide

2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide (PubChem CID 55712838) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide
PubChem CID55712838
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide
SMILESCc1noc(CCCC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)n1
InChIInChI=1S/C20H23N5O3/c1-13-12-17(14(2)25(13)16-8-5-4-6-9-16)20(27)23-22-18(26)10-7-11-19-21-15(3)24-28-19/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyMUVSGVXPQOIYOD-UHFFFAOYSA-N
XLogP2.57
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N'-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 41388627
N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 55616762
N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683785
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-3-phenylpropanoic acid
CID 119165693
(2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-phenylacetic acid
CID 119372360
1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide
CID 55666200
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 98404536
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide (CID 55712838) is 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide is Cc1noc(CCCC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)n1.
What is the InChIKey of 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is MUVSGVXPQOIYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-12-17(14(2)25(13)16-8-5-4-6-9-16)20(27)23-22-18(26)10-7-11-19-21-15(3)24-28-19/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide?
2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 381.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 55712838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).