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

C26H27N5O2 — CID 53041886

IUPAC[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CC3)cc2)no1
InChIInChI=1S/C26H27N5O2/c1-18-4-5-19(2)31(18)24-12-8-22(9-13-24)26(32)30-16-14-29(15-17-30)23-10-6-21(7-11-23)25-27-20(3)33-28-25/h4-13H,14-17H2,1-3H3
InChIKeyYGNMFPRSJDVYHB-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.41
Rot. Bonds4

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

[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone (PubChem CID 53041886) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
PubChem CID53041886
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CC3)cc2)no1
InChIInChI=1S/C26H27N5O2/c1-18-4-5-19(2)31(18)24-12-8-22(9-13-24)26(32)30-16-14-29(15-17-30)23-10-6-21(7-11-23)25-27-20(3)33-28-25/h4-13H,14-17H2,1-3H3
InChIKeyYGNMFPRSJDVYHB-UHFFFAOYSA-N
XLogP4.41
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53064590
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 53064596
(4-methylphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827747
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
N-[1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 53041884
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 53005791

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone (CID 53041886) is [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone is Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CC3)cc2)no1.
What is the InChIKey of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone?
The InChIKey is YGNMFPRSJDVYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-4-5-19(2)31(18)24-12-8-22(9-13-24)26(32)30-16-14-29(15-17-30)23-10-6-21(7-11-23)25-27-20(3)33-28-25/h4-13H,14-17H2,1-3H3.
What are the key properties of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone?
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone has a molecular weight of 441.54 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53041886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).