N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide

C22H18N4O3 — CID 78818005

IUPACN'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NNC(=O)c3ccc[nH]3)o2)cc1
InChIInChI=1S/C22H18N4O3/c1-14-8-10-15(11-9-14)19-13-24-22(29-19)17-6-3-2-5-16(17)20(27)25-26-21(28)18-7-4-12-23-18/h2-13,23H,1H3,(H,25,27)(H,26,28)
InChIKeyOCEFRRJRHUBEGJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.72
Rot. Bonds4

About N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide

N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78818005) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78818005
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NNC(=O)c3ccc[nH]3)o2)cc1
InChIInChI=1S/C22H18N4O3/c1-14-8-10-15(11-9-14)19-13-24-22(29-19)17-6-3-2-5-16(17)20(27)25-26-21(28)18-7-4-12-23-18/h2-13,23H,1H3,(H,25,27)(H,26,28)
InChIKeyOCEFRRJRHUBEGJ-UHFFFAOYSA-N
XLogP3.72
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide
CID 36702942
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide
CID 55405796
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447193
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 120943363
N-(4-aminocyclohexyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 119476886
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512405
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748

Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide (CID 78818005) is N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide is Cc1ccc(-c2cnc(-c3ccccc3C(=O)NNC(=O)c3ccc[nH]3)o2)cc1.
What is the InChIKey of N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is OCEFRRJRHUBEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-14-8-10-15(11-9-14)19-13-24-22(29-19)17-6-3-2-5-16(17)20(27)25-26-21(28)18-7-4-12-23-18/h2-13,23H,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide?
N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 386.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78818005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).