5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide

C31H37N7O4 — CID 71234365

IUPAC5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C31H37N7O4/c1-21-6-2-3-7-25(21)36-16-18-37(19-17-36)26-12-11-23(28(40)32-13-5-15-38-14-4-8-27(38)39)20-24(26)33-29(41)31-35-34-30(42-31)22-9-10-22/h2-3,6-7,11-12,20,22H,4-5,8-10,13-19H2,1H3,(H,32,40)(H,33,41)
InChIKeyIYTFDLDLUXCEEE-UHFFFAOYSA-N
MW571.68 g/mol
LogP3.58
Rot. Bonds10

About 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide

5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 71234365) has the molecular formula C31H37N7O4 and a molecular weight of 571.68 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID71234365
Molecular FormulaC31H37N7O4
Molecular Weight571.68 g/mol
Exact Mass571.29
IUPAC Name5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C31H37N7O4/c1-21-6-2-3-7-25(21)36-16-18-37(19-17-36)26-12-11-23(28(40)32-13-5-15-38-14-4-8-27(38)39)20-24(26)33-29(41)31-35-34-30(42-31)22-9-10-22/h2-3,6-7,11-12,20,22H,4-5,8-10,13-19H2,1H3,(H,32,40)(H,33,41)
InChIKeyIYTFDLDLUXCEEE-UHFFFAOYSA-N
XLogP3.58
TPSA123.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.68
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 71234365) is 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2nnc(C3CC3)o2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IYTFDLDLUXCEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N7O4/c1-21-6-2-3-7-25(21)36-16-18-37(19-17-36)26-12-11-23(28(40)32-13-5-15-38-14-4-8-27(38)39)20-24(26)33-29(41)31-35-34-30(42-31)22-9-10-22/h2-3,6-7,11-12,20,22H,4-5,8-10,13-19H2,1H3,(H,32,40)(H,33,41).
What are the key properties of 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide?
5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 571.68 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 71234365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).