3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide

C21H23N3O5S — CID 46514440

IUPAC3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)ccc1OC(C)C
InChIInChI=1S/C21H23N3O5S/c1-12(2)28-16-8-7-14(10-17(16)27-4)20(26)24-23-19(25)11-15-13(3)29-21(22-15)18-6-5-9-30-18/h5-10,12H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyHBJFHSMJZVXBKQ-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.51
Rot. Bonds7

About 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide

3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 46514440) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide
PubChem CID46514440
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)ccc1OC(C)C
InChIInChI=1S/C21H23N3O5S/c1-12(2)28-16-8-7-14(10-17(16)27-4)20(26)24-23-19(25)11-15-13(3)29-21(22-15)18-6-5-9-30-18/h5-10,12H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyHBJFHSMJZVXBKQ-UHFFFAOYSA-N
XLogP3.51
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55637699
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627428
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31781054
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 78839550
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N-[[3-(methoxymethyl)phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46470860
N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24627442
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46590390
5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide
CID 25468869
(2S,3S)-3-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 119194033
3-methoxy-4-propan-2-yloxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46656596

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide (CID 46514440) is 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is HBJFHSMJZVXBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-12(2)28-16-8-7-14(10-17(16)27-4)20(26)24-23-19(25)11-15-13(3)29-21(22-15)18-6-5-9-30-18/h5-10,12H,11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 429.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 46514440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).