N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide

C18H22N4O3 — CID 16891561

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)no1
InChIInChI=1S/C18H22N4O3/c1-13-12-16(21-25-13)20-18(24)17(23)19-9-8-14-4-6-15(7-5-14)22-10-2-3-11-22/h4-7,12H,2-3,8-11H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyUCZFAVOAWFPHRJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.88
Rot. Bonds5

About N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide (PubChem CID 16891561) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
PubChem CID16891561
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)no1
InChIInChI=1S/C18H22N4O3/c1-13-12-16(21-25-13)20-18(24)17(23)19-9-8-14-4-6-15(7-5-14)22-10-2-3-11-22/h4-7,12H,2-3,8-11H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyUCZFAVOAWFPHRJ-UHFFFAOYSA-N
XLogP1.88
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide (CID 16891561) is N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide is Cc1cc(NC(=O)C(=O)NCCc2ccc(N3CCCC3)cc2)no1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
The InChIKey is UCZFAVOAWFPHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-12-16(21-25-13)20-18(24)17(23)19-9-8-14-4-6-15(7-5-14)22-10-2-3-11-22/h4-7,12H,2-3,8-11H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide has a molecular weight of 342.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16891561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).