5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide

C15H16ClN3O3 — CID 2744591

IUPAC5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H16ClN3O3/c1-15(2,3)12-8-11(19-22-12)14(21)18-17-13(20)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H,17,20)(H,18,21)
InChIKeySWAKDKCGJNRDSX-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.70
Rot. Bonds2

About 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide

5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 2744591) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
PubChem CID2744591
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H16ClN3O3/c1-15(2,3)12-8-11(19-22-12)14(21)18-17-13(20)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H,17,20)(H,18,21)
InChIKeySWAKDKCGJNRDSX-UHFFFAOYSA-N
XLogP2.70
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-N'-(4-pyridin-4-yloxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 11199849
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide
CID 143053139
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875
5-methyl-N'-(4-methylbenzoyl)-1,2-oxazole-3-carbohydrazide
CID 4109679
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 38768638
1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 3170438

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide (CID 2744591) is 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide is CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is SWAKDKCGJNRDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-15(2,3)12-8-11(19-22-12)14(21)18-17-13(20)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide?
5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 321.76 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2744591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).