N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide

C16H19N3O5 — CID 9328567

IUPACN'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H19N3O5/c1-5-13-14(9(2)24-19-13)16(21)18-17-15(20)10-6-11(22-3)8-12(7-10)23-4/h6-8H,5H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyWPKJYXKLNKZJPA-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.64
Rot. Bonds5

About N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide

N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 9328567) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID9328567
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCCc1noc(C)c1C(=O)NNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H19N3O5/c1-5-13-14(9(2)24-19-13)16(21)18-17-15(20)10-6-11(22-3)8-12(7-10)23-4/h6-8H,5H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyWPKJYXKLNKZJPA-UHFFFAOYSA-N
XLogP1.64
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9323375
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16580445
1-(4-chlorophenyl)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiourea
CID 9317348
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9158633
3-ethyl-5-methyl-N'-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,2-oxazole-4-carbohydrazide
CID 9153120
3-ethyl-5-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,2-oxazole-4-carbohydrazide
CID 9153123
1-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-(2-fluorophenyl)thiourea
CID 9278305
N-ethyl-3,5-dimethoxybenzamide
CID 4286127

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide (CID 9328567) is N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is CCc1noc(C)c1C(=O)NNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is WPKJYXKLNKZJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-5-13-14(9(2)24-19-13)16(21)18-17-15(20)10-6-11(22-3)8-12(7-10)23-4/h6-8H,5H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide?
N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 333.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9328567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).