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

C18H23N3O5 — CID 24979672

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)on2)cc1OCC
InChIInChI=1S/C18H23N3O5/c1-5-24-15-8-7-13(10-16(15)25-6-2)19-17(22)11-21(4)18(23)14-9-12(3)26-20-14/h7-10H,5-6,11H2,1-4H3,(H,19,22)
InChIKeyNOHNTDIAFGELGO-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.49
Rot. Bonds8

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

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 24979672) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID24979672
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)on2)cc1OCC
InChIInChI=1S/C18H23N3O5/c1-5-24-15-8-7-13(10-16(15)25-6-2)19-17(22)11-21(4)18(23)14-9-12(3)26-20-14/h7-10H,5-6,11H2,1-4H3,(H,19,22)
InChIKeyNOHNTDIAFGELGO-UHFFFAOYSA-N
XLogP2.49
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 24979672) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(C)on2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is NOHNTDIAFGELGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-5-24-15-8-7-13(10-16(15)25-6-2)19-17(22)11-21(4)18(23)14-9-12(3)26-20-14/h7-10H,5-6,11H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24979672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).