5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane

C27H32N6O3 — CID 143470395

IUPAC5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane
SMILESCC.CN(CCC1CC(C(=O)Nc2ccccc2)=NO1)c1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C25H26N6O3.C2H6/c1-31(14-13-19-15-22(30-34-19)25(33)28-18-7-3-2-4-8-18)23-12-11-17(16-27-23)24(32)29-21-10-6-5-9-20(21)26;1-2/h2-12,16,19H,13-15,26H2,1H3,(H,28,33)(H,29,32);1-2H3
InChIKeyVPCUYVBMYHYIAJ-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.55
Rot. Bonds8

About 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane

5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane (PubChem CID 143470395) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane.

Molecular Properties

Compound Name5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane
PubChem CID143470395
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane
SMILESCC.CN(CCC1CC(C(=O)Nc2ccccc2)=NO1)c1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C25H26N6O3.C2H6/c1-31(14-13-19-15-22(30-34-19)25(33)28-18-7-3-2-4-8-18)23-12-11-17(16-27-23)24(32)29-21-10-6-5-9-20(21)26;1-2/h2-12,16,19H,13-15,26H2,1H3,(H,28,33)(H,29,32);1-2H3
InChIKeyVPCUYVBMYHYIAJ-UHFFFAOYSA-N
XLogP4.55
TPSA121.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane?
The IUPAC name of 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane (CID 143470395) is 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane.
What is the SMILES notation for 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane?
The canonical SMILES for 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane is CC.CN(CCC1CC(C(=O)Nc2ccccc2)=NO1)c1ccc(C(=O)Nc2ccccc2N)cn1.
What is the InChIKey of 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane?
The InChIKey is VPCUYVBMYHYIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3.C2H6/c1-31(14-13-19-15-22(30-34-19)25(33)28-18-7-3-2-4-8-18)23-12-11-17(16-27-23)24(32)29-21-10-6-5-9-20(21)26;1-2/h2-12,16,19H,13-15,26H2,1H3,(H,28,33)(H,29,32);1-2H3.
What are the key properties of 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane?
5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane has a molecular weight of 488.59 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-methylamino]ethyl]-N-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide;ethane is sourced from PubChem (CID 143470395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).