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

C18H23N3O4 — CID 4788334

IUPACN,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H23N3O4/c1-5-15-17(12(3)25-20-15)18(23)21(6-2)11-16(22)19-13-7-9-14(24-4)10-8-13/h7-10H,5-6,11H2,1-4H3,(H,19,22)
InChIKeyCUKRQOMILXRBBR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.65
Rot. Bonds7

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

N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 4788334) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID4788334
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H23N3O4/c1-5-15-17(12(3)25-20-15)18(23)21(6-2)11-16(22)19-13-7-9-14(24-4)10-8-13/h7-10H,5-6,11H2,1-4H3,(H,19,22)
InChIKeyCUKRQOMILXRBBR-UHFFFAOYSA-N
XLogP2.65
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 9094853
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)acetamide
CID 71844311
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 131932761
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 9094852
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
3-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 30790659
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
CID 4882260
2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9094951
4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 25161545
3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 4788334) is N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(CC)CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CUKRQOMILXRBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-5-15-17(12(3)25-20-15)18(23)21(6-2)11-16(22)19-13-7-9-14(24-4)10-8-13/h7-10H,5-6,11H2,1-4H3,(H,19,22).
What are the key properties of N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide?
N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4788334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).