3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide

C18H19N3O4 — CID 9297211

IUPAC3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C(C)C)c1C(=O)NNC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C18H19N3O4/c1-9(2)15-14(11(4)21-25-15)17(22)19-20-18(23)16-10(3)12-7-5-6-8-13(12)24-16/h5-9H,1-4H3,(H,19,22)(H,20,23)
InChIKeyWBBNNDUKAJENEU-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.24
Rot. Bonds3

About 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide

3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide (PubChem CID 9297211) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
PubChem CID9297211
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C(C)C)c1C(=O)NNC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C18H19N3O4/c1-9(2)15-14(11(4)21-25-15)17(22)19-20-18(23)16-10(3)12-7-5-6-8-13(12)24-16/h5-9H,1-4H3,(H,19,22)(H,20,23)
InChIKeyWBBNNDUKAJENEU-UHFFFAOYSA-N
XLogP3.24
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
CID 26377118
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
3-methyl-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]-1-benzofuran-2-carbohydrazide
CID 55789166
5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665378
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide (CID 9297211) is 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide is Cc1noc(C(C)C)c1C(=O)NNC(=O)c1oc2ccccc2c1C.
What is the InChIKey of 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The InChIKey is WBBNNDUKAJENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-9(2)15-14(11(4)21-25-15)17(22)19-20-18(23)16-10(3)12-7-5-6-8-13(12)24-16/h5-9H,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide has a molecular weight of 341.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 9297211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).