(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

C17H25N5O2 — CID 56821294

IUPAC(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)n1C
InChIInChI=1S/C17H25N5O2/c1-12(2)16-18-15(24-19-16)11-21-7-9-22(10-8-21)17(23)14-6-5-13(3)20(14)4/h5-6,12H,7-11H2,1-4H3
InChIKeyVENLWLLYXYQXHR-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.80
Rot. Bonds4

About (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 56821294) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID56821294
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)n1C
InChIInChI=1S/C17H25N5O2/c1-12(2)16-18-15(24-19-16)11-21-7-9-22(10-8-21)17(23)14-6-5-13(3)20(14)4/h5-6,12H,7-11H2,1-4H3
InChIKeyVENLWLLYXYQXHR-UHFFFAOYSA-N
XLogP1.80
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-hydroxy-4-(trifluoromethyl)phenyl]-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 86782462
2-methyl-6-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 56799883
N-methyl-N-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43065538
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 136528767
N-phenyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 30891217
tert-butyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepane-1-carboxylate
CID 171130204
(4-methylphenyl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 51087755
5-[[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171704371
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 30891214
5-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 163345680
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 56821294) is (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(Cc3nc(C(C)C)no3)CC2)n1C.
What is the InChIKey of (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is VENLWLLYXYQXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)16-18-15(24-19-16)11-21-7-9-22(10-8-21)17(23)14-6-5-13(3)20(14)4/h5-6,12H,7-11H2,1-4H3.
What are the key properties of (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56821294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).