N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide

C23H17N7O3S — CID 55494664

IUPACN'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2cccs2)on1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17N7O3S/c31-22(25-26-23(32)18-13-19(33-28-18)20-7-4-12-34-20)17-10-8-15(9-11-17)14-30-27-21(24-29-30)16-5-2-1-3-6-16/h1-13H,14H2,(H,25,31)(H,26,32)
InChIKeyOUWYDPDCGOAWLO-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.18
Rot. Bonds6

About N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide

N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide (PubChem CID 55494664) has the molecular formula C23H17N7O3S and a molecular weight of 471.50 g/mol. Its IUPAC name is N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
PubChem CID55494664
Molecular FormulaC23H17N7O3S
Molecular Weight471.50 g/mol
Exact Mass471.11
IUPAC NameN'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2cccs2)on1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17N7O3S/c31-22(25-26-23(32)18-13-19(33-28-18)20-7-4-12-34-20)17-10-8-15(9-11-17)14-30-27-21(24-29-30)16-5-2-1-3-6-16/h1-13H,14H2,(H,25,31)(H,26,32)
InChIKeyOUWYDPDCGOAWLO-UHFFFAOYSA-N
XLogP3.18
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
CID 24541902
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
CID 35853173
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
CID 154859144
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide (CID 55494664) is N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide is O=C(NNC(=O)c1cc(-c2cccs2)on1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
The InChIKey is OUWYDPDCGOAWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O3S/c31-22(25-26-23(32)18-13-19(33-28-18)20-7-4-12-34-20)17-10-8-15(9-11-17)14-30-27-21(24-29-30)16-5-2-1-3-6-16/h1-13H,14H2,(H,25,31)(H,26,32).
What are the key properties of N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide?
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide has a molecular weight of 471.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55494664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).