3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

C17H21N3O4 — CID 25163106

IUPAC3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H21N3O4/c1-5-14-16(11(2)24-19-14)17(22)20(3)10-15(21)18-12-7-6-8-13(9-12)23-4/h6-9H,5,10H2,1-4H3,(H,18,21)
InChIKeyRKMQOLDJKOEJNL-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.26
Rot. Bonds6

About 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 25163106) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID25163106
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C17H21N3O4/c1-5-14-16(11(2)24-19-14)17(22)20(3)10-15(21)18-12-7-6-8-13(9-12)23-4/h6-9H,5,10H2,1-4H3,(H,18,21)
InChIKeyRKMQOLDJKOEJNL-UHFFFAOYSA-N
XLogP2.26
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 25163106) is 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is RKMQOLDJKOEJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-5-14-16(11(2)24-19-14)17(22)20(3)10-15(21)18-12-7-6-8-13(9-12)23-4/h6-9H,5,10H2,1-4H3,(H,18,21).
What are the key properties of 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25163106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).