N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide

C22H18N4O5 — CID 35953866

IUPACN'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H18N4O5/c27-19(11-6-12-26-21(29)15-9-4-5-10-16(15)22(26)30)23-24-20(28)17-13-18(31-25-17)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,23,27)(H,24,28)
InChIKeyCJPDFQVPTXPOJZ-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.18
Rot. Bonds6

About N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide

N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide (PubChem CID 35953866) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
PubChem CID35953866
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC NameN'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H18N4O5/c27-19(11-6-12-26-21(29)15-9-4-5-10-16(15)22(26)30)23-24-20(28)17-13-18(31-25-17)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,23,27)(H,24,28)
InChIKeyCJPDFQVPTXPOJZ-UHFFFAOYSA-N
XLogP2.18
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
CID 2598564
N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
CID 56766373
N'-(2-naphthalen-1-ylacetyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 46662435
N'-[2-(4-methoxyphenyl)acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 39432381
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]butanamide
CID 110370396
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537739
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
CID 39429005
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 4775508

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide (CID 35953866) is N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide is O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is CJPDFQVPTXPOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c27-19(11-6-12-26-21(29)15-9-4-5-10-16(15)22(26)30)23-24-20(28)17-13-18(31-25-17)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,23,27)(H,24,28).
What are the key properties of N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 418.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 35953866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).