N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide

C20H22ClN5O3 — CID 2809427

IUPACN'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1cc(C)n(C(C)(C)C)n1
InChIInChI=1S/C20H22ClN5O3/c1-11-10-15(24-26(11)20(3,4)5)18(27)22-23-19(28)16-12(2)29-25-17(16)13-8-6-7-9-14(13)21/h6-10H,1-5H3,(H,22,27)(H,23,28)
InChIKeyYTGWVRNERASZMK-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.64
Rot. Bonds3

About N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide

N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide (PubChem CID 2809427) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
PubChem CID2809427
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC NameN'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1cc(C)n(C(C)(C)C)n1
InChIInChI=1S/C20H22ClN5O3/c1-11-10-15(24-26(11)20(3,4)5)18(27)22-23-19(28)16-12(2)29-25-17(16)13-8-6-7-9-14(13)21/h6-10H,1-5H3,(H,22,27)(H,23,28)
InChIKeyYTGWVRNERASZMK-UHFFFAOYSA-N
XLogP3.64
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9366641
3-(2-chlorophenyl)-N-(3-ethylpent-1-yn-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2803123
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 121111972
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3443084
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119641872

Frequently Asked Questions

What is the IUPAC name of N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide (CID 2809427) is N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide is Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1cc(C)n(C(C)(C)C)n1.
What is the InChIKey of N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
The InChIKey is YTGWVRNERASZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-11-10-15(24-26(11)20(3,4)5)18(27)22-23-19(28)16-12(2)29-25-17(16)13-8-6-7-9-14(13)21/h6-10H,1-5H3,(H,22,27)(H,23,28).
What are the key properties of N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide?
N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide has a molecular weight of 415.88 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2809427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).