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

C16H20N4O3 — CID 16891476

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)no1
InChIInChI=1S/C16H20N4O3/c1-11-10-14(19-23-11)18-16(22)15(21)17-9-8-12-4-6-13(7-5-12)20(2)3/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeyJXFIQFHCVHUYAH-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.35
Rot. Bonds5

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

N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 16891476) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID16891476
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)no1
InChIInChI=1S/C16H20N4O3/c1-11-10-14(19-23-11)18-16(22)15(21)17-9-8-12-4-6-13(7-5-12)20(2)3/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,19,22)
InChIKeyJXFIQFHCVHUYAH-UHFFFAOYSA-N
XLogP1.35
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.35
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-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 16891476) is N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NCCc2ccc(N(C)C)cc2)no1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is JXFIQFHCVHUYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-10-14(19-23-11)18-16(22)15(21)17-9-8-12-4-6-13(7-5-12)20(2)3/h4-7,10H,8-9H2,1-3H3,(H,17,21)(H,18,19,22).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 316.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 16891476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).