4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide

C23H25N5O3 — CID 3464767

IUPAC4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1onc(C(=O)NN)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H25N5O3/c1-16-19(20(26-31-16)22(29)25-24)23(30)28-14-12-27(13-15-28)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,21H,12-15,24H2,1H3,(H,25,29)
InChIKeyWXUORVJUXOZZSW-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.13
Rot. Bonds5

About 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide

4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide (PubChem CID 3464767) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide
PubChem CID3464767
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide
SMILESCc1onc(C(=O)NN)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H25N5O3/c1-16-19(20(26-31-16)22(29)25-24)23(30)28-14-12-27(13-15-28)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,21H,12-15,24H2,1H3,(H,25,29)
InChIKeyWXUORVJUXOZZSW-UHFFFAOYSA-N
XLogP2.13
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Benzhydryl-4-[(5-isopropyl-4-nitroisoxazol-3-yl)carbonyl]piperazine
CID 15945537
[4-(Diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone
CID 15945539
[4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone
CID 49766518
1-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-4-(2-phenylethyl)piperazine
CID 1247127
5-Methyl-3-phenylisoxazol-4-yl 4-benzylpiperazinyl ketone
CID 1358723
[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3233430
1-Benzhydryl-4-[(5-isopropylisoxazol-3-yl)carbonyl]piperazine
CID 3242450
2-({4-[(4-benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolyl}carbonyl)-N-methyl-1-hydrazinecarbothioamide
CID 3299498
5-Methylisoxazol-3-yl 4-benzylpiperidyl ketone
CID 2971133
(4-Benzylpiperazino)(3,5-dimethyl-4-isoxazolyl)methanone
CID 1471387
1-[(5-Methyl-3-phenyl-4-isoxazolyl)carbonyl]-4-(2-phenylethyl)piperazine
CID 1247474
1-[(5-Methyl-3-isoxazolyl)carbonyl]-4-(2-phenylethyl)piperazine
CID 1247515

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide (CID 3464767) is 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide is Cc1onc(C(=O)NN)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is WXUORVJUXOZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-19(20(26-31-16)22(29)25-24)23(30)28-14-12-27(13-15-28)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,21H,12-15,24H2,1H3,(H,25,29).
What are the key properties of 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide?
4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 419.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazine-1-carbonyl)-5-methyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 3464767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).