N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide

C20H22N4O4 — CID 167773270

IUPACN'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide
SMILESCc1cnc(-c2cccc(NC(=O)C(=O)NC3CC(=O)N4CCCCC34)c2)o1
InChIInChI=1S/C20H22N4O4/c1-12-11-21-20(28-12)13-5-4-6-14(9-13)22-18(26)19(27)23-15-10-17(25)24-8-3-2-7-16(15)24/h4-6,9,11,15-16H,2-3,7-8,10H2,1H3,(H,22,26)(H,23,27)
InChIKeyONFVZASPCNYYAK-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.86
Rot. Bonds3

About N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide

N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide (PubChem CID 167773270) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide.

Molecular Properties

Compound NameN'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide
PubChem CID167773270
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide
SMILESCc1cnc(-c2cccc(NC(=O)C(=O)NC3CC(=O)N4CCCCC34)c2)o1
InChIInChI=1S/C20H22N4O4/c1-12-11-21-20(28-12)13-5-4-6-14(9-13)22-18(26)19(27)23-15-10-17(25)24-8-3-2-7-16(15)24/h4-6,9,11,15-16H,2-3,7-8,10H2,1H3,(H,22,26)(H,23,27)
InChIKeyONFVZASPCNYYAK-UHFFFAOYSA-N
XLogP1.86
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide?
The IUPAC name of N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide (CID 167773270) is N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide.
What is the SMILES notation for N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide?
The canonical SMILES for N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide is Cc1cnc(-c2cccc(NC(=O)C(=O)NC3CC(=O)N4CCCCC34)c2)o1.
What is the InChIKey of N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide?
The InChIKey is ONFVZASPCNYYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-11-21-20(28-12)13-5-4-6-14(9-13)22-18(26)19(27)23-15-10-17(25)24-8-3-2-7-16(15)24/h4-6,9,11,15-16H,2-3,7-8,10H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide?
N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide has a molecular weight of 382.42 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-N-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)oxamide is sourced from PubChem (CID 167773270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).