4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide

C15H15ClN4O4 — CID 3170438

IUPAC4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
SMILESCc1cc(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H15ClN4O4/c1-9-8-12(20-24-9)17-13(21)6-7-14(22)18-19-15(23)10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyKUUFWOAJEMHXAJ-UHFFFAOYSA-N
MW350.76 g/mol
LogP1.82
Rot. Bonds5

About 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide

4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide (PubChem CID 3170438) has the molecular formula C15H15ClN4O4 and a molecular weight of 350.76 g/mol. Its IUPAC name is 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
PubChem CID3170438
Molecular FormulaC15H15ClN4O4
Molecular Weight350.76 g/mol
Exact Mass350.08
IUPAC Name4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
SMILESCc1cc(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H15ClN4O4/c1-9-8-12(20-24-9)17-13(21)6-7-14(22)18-19-15(23)10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyKUUFWOAJEMHXAJ-UHFFFAOYSA-N
XLogP1.82
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 51.82
H-Bond Donors ≤ 53
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-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563517
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370274
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The IUPAC name of 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide (CID 3170438) is 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide is Cc1cc(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
The InChIKey is KUUFWOAJEMHXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4/c1-9-8-12(20-24-9)17-13(21)6-7-14(22)18-19-15(23)10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,23)(H,17,20,21).
What are the key properties of 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide?
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide has a molecular weight of 350.76 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide is sourced from PubChem (CID 3170438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).