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

C12H10ClN3O3 — CID 2744352

IUPACN'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H10ClN3O3/c1-7-6-10(16-19-7)12(18)15-14-11(17)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,17)(H,15,18)
InChIKeySEQDRRBJQPRHJZ-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.71
Rot. Bonds2

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

N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 2744352) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID2744352
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC NameN'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H10ClN3O3/c1-7-6-10(16-19-7)12(18)15-14-11(17)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,17)(H,15,18)
InChIKeySEQDRRBJQPRHJZ-UHFFFAOYSA-N
XLogP1.71
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 2744352) is N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is SEQDRRBJQPRHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-7-6-10(16-19-7)12(18)15-14-11(17)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 279.68 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 2744352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).