1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

About 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 15980604) has the molecular formula C32H30N6O6 and a molecular weight of 594.63 g/mol. Its IUPAC name is 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID	15980604
Molecular Formula	C32H30N6O6
Molecular Weight	594.63 g/mol
Exact Mass	594.22
IUPAC Name	1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
SMILES	O=C(Nc1ccc(/C=C/c2ccc(NC(=O)C3CCCN3C(=O)c3ccno3)cc2)cc1)C1CCCN1C(=O)c1ccno1
InChI	InChI=1S/C32H30N6O6/c39-29(25-3-1-19-37(25)31(41)27-15-17-33-43-27)35-23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)36-30(40)26-4-2-20-38(26)32(42)28-16-18-34-44-28/h5-18,25-26H,1-4,19-20H2,(H,35,39)(H,36,40)/b6-5+
InChIKey	QCMCAJWHPNERHB-AATRIKPKSA-N
XLogP	4.32
TPSA	150.88 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.63
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide (CID 15980604) is 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(/C=C/c2ccc(NC(=O)C3CCCN3C(=O)c3ccno3)cc2)cc1)C1CCCN1C(=O)c1ccno1.

What is the InChIKey of 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is QCMCAJWHPNERHB-AATRIKPKSA-N. The full InChI is InChI=1S/C32H30N6O6/c39-29(25-3-1-19-37(25)31(41)27-15-17-33-43-27)35-23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)36-30(40)26-4-2-20-38(26)32(42)28-16-18-34-44-28/h5-18,25-26H,1-4,19-20H2,(H,35,39)(H,36,40)/b6-5+.

What are the key properties of 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?

1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 594.63 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 15980604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).