5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide

C16H19N3O7 — CID 5121827

IUPAC5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide
SMILESCCOc1cnc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)o1
InChIInChI=1S/C16H19N3O7/c1-5-25-12-8-17-16(26-12)15(21)19-18-14(20)9-6-10(22-2)13(24-4)11(7-9)23-3/h6-8H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyHVWBVWFMYIGQCB-UHFFFAOYSA-N
MW365.34 g/mol
LogP1.17
Rot. Bonds7

About 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide

5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide (PubChem CID 5121827) has the molecular formula C16H19N3O7 and a molecular weight of 365.34 g/mol. Its IUPAC name is 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide.

Molecular Properties

Compound Name5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide
PubChem CID5121827
Molecular FormulaC16H19N3O7
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide
SMILESCCOc1cnc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)o1
InChIInChI=1S/C16H19N3O7/c1-5-25-12-8-17-16(26-12)15(21)19-18-14(20)9-6-10(22-2)13(24-4)11(7-9)23-3/h6-8H,5H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyHVWBVWFMYIGQCB-UHFFFAOYSA-N
XLogP1.17
TPSA121.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4926525
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
1-[(4-ethoxy-3,5-dimethoxybenzoyl)amino]-3-methylthiourea
CID 10448291
N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
CID 3955560
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N,N-dimethyl-2-[2-oxo-2-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]ethoxy]acetamide
CID 3971396
3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 2088517
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide
CID 75458646
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide?
The IUPAC name of 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide (CID 5121827) is 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide.
What is the SMILES notation for 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide?
The canonical SMILES for 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide is CCOc1cnc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)o1.
What is the InChIKey of 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide?
The InChIKey is HVWBVWFMYIGQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O7/c1-5-25-12-8-17-16(26-12)15(21)19-18-14(20)9-6-10(22-2)13(24-4)11(7-9)23-3/h6-8H,5H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide?
5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide has a molecular weight of 365.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N'-(3,4,5-trimethoxybenzoyl)-1,3-oxazole-2-carbohydrazide is sourced from PubChem (CID 5121827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).