5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide

C18H13N7O3 — CID 39429005

IUPAC5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H13N7O3/c26-17(13-6-8-14(9-7-13)25-11-19-23-24-25)20-21-18(27)15-10-16(28-22-15)12-4-2-1-3-5-12/h1-11H,(H,20,26)(H,21,27)
InChIKeyZUVKYTKRENCNAN-UHFFFAOYSA-N
MW375.35 g/mol
LogP1.39
Rot. Bonds4

About 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide

5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 39429005) has the molecular formula C18H13N7O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
PubChem CID39429005
Molecular FormulaC18H13N7O3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H13N7O3/c26-17(13-6-8-14(9-7-13)25-11-19-23-24-25)20-21-18(27)15-10-16(28-22-15)12-4-2-1-3-5-12/h1-11H,(H,20,26)(H,21,27)
InChIKeyZUVKYTKRENCNAN-UHFFFAOYSA-N
XLogP1.39
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 146021404
5-phenyl-N'-(4-propoxybenzoyl)-1,2-oxazole-3-carbohydrazide
CID 17430676
N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 31540991
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 55494664
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 35953866
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633
N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 34592077
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
CID 31261165
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide (CID 39429005) is 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is ZUVKYTKRENCNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O3/c26-17(13-6-8-14(9-7-13)25-11-19-23-24-25)20-21-18(27)15-10-16(28-22-15)12-4-2-1-3-5-12/h1-11H,(H,20,26)(H,21,27).
What are the key properties of 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide?
5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 375.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 39429005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).