4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide

C19H19N3O4 — CID 134049177

IUPAC4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)CCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H19N3O4/c1-2-13-7-9-14(10-8-13)18(24)21-20-17(23)11-12-22-15-5-3-4-6-16(15)26-19(22)25/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeySBJCAHAZXRHZRX-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.01
Rot. Bonds5

About 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide

4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide (PubChem CID 134049177) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide
PubChem CID134049177
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)CCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C19H19N3O4/c1-2-13-7-9-14(10-8-13)18(24)21-20-17(23)11-12-22-15-5-3-4-6-16(15)26-19(22)25/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeySBJCAHAZXRHZRX-UHFFFAOYSA-N
XLogP2.01
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.01
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-butyl-4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzamide
CID 86986290
[4-(phenylcarbamoyl)phenyl]methyl 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8728157
1-tert-butyl-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea
CID 9426017
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 27705765
4-oxo-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566522
N-[1-(4-ethylphenyl)-2-methylpropyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18198629
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 30707470
N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 27845184
N-[4-(diethoxyphosphorylmethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3868557
[1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819770
4-ethyl-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
CID 16605618

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide (CID 134049177) is 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)CCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide?
The InChIKey is SBJCAHAZXRHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-13-7-9-14(10-8-13)18(24)21-20-17(23)11-12-22-15-5-3-4-6-16(15)26-19(22)25/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide?
4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 134049177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).