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

C23H23N7O3 — CID 35853173

IUPAC3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C(C)C)c1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H23N7O3/c1-14(2)20-19(15(3)28-33-20)23(32)26-25-22(31)18-11-9-16(10-12-18)13-30-27-21(24-29-30)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,31)(H,26,32)
InChIKeyUIRAUTHUSRYLJJ-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.88
Rot. Bonds6

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

3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide (PubChem CID 35853173) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
PubChem CID35853173
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(C(C)C)c1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H23N7O3/c1-14(2)20-19(15(3)28-33-20)23(32)26-25-22(31)18-11-9-16(10-12-18)13-30-27-21(24-29-30)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,31)(H,26,32)
InChIKeyUIRAUTHUSRYLJJ-UHFFFAOYSA-N
XLogP2.88
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.88
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

N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
N'-(2-benzylsulfanylpropanoyl)-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55792292
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
3,4-dimethyl-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]benzamide
CID 24541956
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 55494664
N'-[3-(3-chloro-4-methylphenyl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24586128
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide (CID 35853173) is 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide is Cc1noc(C(C)C)c1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
The InChIKey is UIRAUTHUSRYLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-14(2)20-19(15(3)28-33-20)23(32)26-25-22(31)18-11-9-16(10-12-18)13-30-27-21(24-29-30)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,31)(H,26,32).
What are the key properties of 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide?
3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide has a molecular weight of 445.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-propan-2-yl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 35853173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).