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

C32H38N6O4 — CID 71234116

IUPAC2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(N2CCN(c3ccc(C(=O)NCCCN4CCCC4=O)cc3NC(=O)c3coc(C4CC4)n3)CC2)cc1
InChIInChI=1S/C32H38N6O4/c1-22-5-10-25(11-6-22)36-16-18-37(19-17-36)28-12-9-24(30(40)33-13-3-15-38-14-2-4-29(38)39)20-26(28)34-31(41)27-21-42-32(35-27)23-7-8-23/h5-6,9-12,20-21,23H,2-4,7-8,13-19H2,1H3,(H,33,40)(H,34,41)
InChIKeyOLZNJUJTHGUQJD-UHFFFAOYSA-N
MW570.69 g/mol
LogP4.18
Rot. Bonds10

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

2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 71234116) has the molecular formula C32H38N6O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID71234116
Molecular FormulaC32H38N6O4
Molecular Weight570.69 g/mol
Exact Mass570.30
IUPAC Name2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(N2CCN(c3ccc(C(=O)NCCCN4CCCC4=O)cc3NC(=O)c3coc(C4CC4)n3)CC2)cc1
InChIInChI=1S/C32H38N6O4/c1-22-5-10-25(11-6-22)36-16-18-37(19-17-36)28-12-9-24(30(40)33-13-3-15-38-14-2-4-29(38)39)20-26(28)34-31(41)27-21-42-32(35-27)23-7-8-23/h5-6,9-12,20-21,23H,2-4,7-8,13-19H2,1H3,(H,33,40)(H,34,41)
InChIKeyOLZNJUJTHGUQJD-UHFFFAOYSA-N
XLogP4.18
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.69
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide (CID 71234116) is 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide is Cc1ccc(N2CCN(c3ccc(C(=O)NCCCN4CCCC4=O)cc3NC(=O)c3coc(C4CC4)n3)CC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OLZNJUJTHGUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O4/c1-22-5-10-25(11-6-22)36-16-18-37(19-17-36)28-12-9-24(30(40)33-13-3-15-38-14-2-4-29(38)39)20-26(28)34-31(41)27-21-42-32(35-27)23-7-8-23/h5-6,9-12,20-21,23H,2-4,7-8,13-19H2,1H3,(H,33,40)(H,34,41).
What are the key properties of 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 570.69 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71234116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).