N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide

C18H14ClN3O4 — CID 55683983

IUPACN'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)c3cc(Cl)ccc3O)on2)cc1
InChIInChI=1S/C18H14ClN3O4/c1-10-2-4-11(5-3-10)14-9-16(26-22-14)18(25)21-20-17(24)13-8-12(19)6-7-15(13)23/h2-9,23H,1H3,(H,20,24)(H,21,25)
InChIKeyLLEGSEMUOVPYQV-UHFFFAOYSA-N
MW371.78 g/mol
LogP3.08
Rot. Bonds3

About N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide

N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 55683983) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
PubChem CID55683983
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC NameN'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)c3cc(Cl)ccc3O)on2)cc1
InChIInChI=1S/C18H14ClN3O4/c1-10-2-4-11(5-3-10)14-9-16(26-22-14)18(25)21-20-17(24)13-8-12(19)6-7-15(13)23/h2-9,23H,1H3,(H,20,24)(H,21,25)
InChIKeyLLEGSEMUOVPYQV-UHFFFAOYSA-N
XLogP3.08
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 53.08
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

N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
3-(4-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]-1,2-oxazole-5-carbohydrazide
CID 55644587
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 78870510
N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 51250800
N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
(5-chloro-2-hydroxyphenyl)-[6-(4-methylphenyl)-3-pyridinyl]methanone
CID 153408167
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
[4-(2-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38416794

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide (CID 55683983) is N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide is Cc1ccc(-c2cc(C(=O)NNC(=O)c3cc(Cl)ccc3O)on2)cc1.
What is the InChIKey of N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is LLEGSEMUOVPYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-10-2-4-11(5-3-10)14-9-16(26-22-14)18(25)21-20-17(24)13-8-12(19)6-7-15(13)23/h2-9,23H,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide?
N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 371.78 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 55683983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).