4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide

C26H22ClN3O4 — CID 26012287

IUPAC4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H22ClN3O4/c1-17-23(28-26(34-17)20-5-3-2-4-6-20)15-24(31)29-30-25(32)19-9-7-18(8-10-19)16-33-22-13-11-21(27)12-14-22/h2-14H,15-16H2,1H3,(H,29,31)(H,30,32)
InChIKeyKRTVUGMEHJOJFJ-UHFFFAOYSA-N
MW475.93 g/mol
LogP4.89
Rot. Bonds7

About 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide

4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide (PubChem CID 26012287) has the molecular formula C26H22ClN3O4 and a molecular weight of 475.93 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
PubChem CID26012287
Molecular FormulaC26H22ClN3O4
Molecular Weight475.93 g/mol
Exact Mass475.13
IUPAC Name4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H22ClN3O4/c1-17-23(28-26(34-17)20-5-3-2-4-6-20)15-24(31)29-30-25(32)19-9-7-18(8-10-19)16-33-22-13-11-21(27)12-14-22/h2-14H,15-16H2,1H3,(H,29,31)(H,30,32)
InChIKeyKRTVUGMEHJOJFJ-UHFFFAOYSA-N
XLogP4.89
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 54.89
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

4-hexoxy-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide
CID 30593411
2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884683
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
2-[6-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid
CID 68884951
benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 18270785
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 30396724
N'-butanoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 24536714
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110423975

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide (CID 26012287) is 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide is Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide?
The InChIKey is KRTVUGMEHJOJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O4/c1-17-23(28-26(34-17)20-5-3-2-4-6-20)15-24(31)29-30-25(32)19-9-7-18(8-10-19)16-33-22-13-11-21(27)12-14-22/h2-14H,15-16H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide?
4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide has a molecular weight of 475.93 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]benzohydrazide is sourced from PubChem (CID 26012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).