N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide

C19H19N3O5 — CID 27845184

IUPACN'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C19H19N3O5/c1-13-5-4-6-14(11-13)26-12-18(24)21-20-17(23)9-10-22-15-7-2-3-8-16(15)27-19(22)25/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyWYFDSOIHGSDLCJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.52
Rot. Bonds6

About N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide

N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide (PubChem CID 27845184) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
PubChem CID27845184
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C19H19N3O5/c1-13-5-4-6-14(11-13)26-12-18(24)21-20-17(23)9-10-22-15-7-2-3-8-16(15)27-19(22)25/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyWYFDSOIHGSDLCJ-UHFFFAOYSA-N
XLogP1.52
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 30707470
2-naphthalen-2-yloxy-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]propanehydrazide
CID 55379563
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
3-(2-methoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 26901623
4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide
CID 134049177
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 51195376
2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 40649593
N'-[2-(3-methylphenoxy)acetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
CID 35767998
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
(2,5-dimethylphenyl) 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 18823364
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide (CID 27845184) is N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide is Cc1cccc(OCC(=O)NNC(=O)CCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide?
The InChIKey is WYFDSOIHGSDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-13-5-4-6-14(11-13)26-12-18(24)21-20-17(23)9-10-22-15-7-2-3-8-16(15)27-19(22)25/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide?
N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide has a molecular weight of 369.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide is sourced from PubChem (CID 27845184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).