N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide

C18H17N3O3S — CID 55704503

IUPACN'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C18H17N3O3S/c1-3-12-6-8-13(9-7-12)16(22)20-21-17(23)15-11(2)24-18(19-15)14-5-4-10-25-14/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIEOODBUMVNGPGM-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.35
Rot. Bonds4

About N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide

N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide (PubChem CID 55704503) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
PubChem CID55704503
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C18H17N3O3S/c1-3-12-6-8-13(9-7-12)16(22)20-21-17(23)15-11(2)24-18(19-15)14-5-4-10-25-14/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIEOODBUMVNGPGM-UHFFFAOYSA-N
XLogP3.35
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.35
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

N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704486
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706816
5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704480
N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55755678
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55892303
4-ethyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7910580
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 55719198
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706690
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71938325
4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110641311
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide (CID 55704503) is N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2nc(-c3cccs3)oc2C)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide?
The InChIKey is IEOODBUMVNGPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-12-6-8-13(9-7-12)16(22)20-21-17(23)15-11(2)24-18(19-15)14-5-4-10-25-14/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide?
N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide has a molecular weight of 355.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide is sourced from PubChem (CID 55704503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).