(4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone

C24H26N4O4 — CID 15945537

IUPAC(4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1onc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C24H26N4O4/c1-17(2)23-22(28(30)31)20(25-32-23)24(29)27-15-13-26(14-16-27)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3
InChIKeySPEXSCOPIHGICA-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.25
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 15945537) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID15945537
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1onc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C24H26N4O4/c1-17(2)23-22(28(30)31)20(25-32-23)24(29)27-15-13-26(14-16-27)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3
InChIKeySPEXSCOPIHGICA-UHFFFAOYSA-N
XLogP4.25
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ML-210
CID 49766530
1-(5-Methyl-4-nitro-1,2-oxazole-3-carbonyl)-4-phenylpiperazine
CID 20864742
[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
(4-Benzhydryl-1,4-diazepan-1-yl)-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
CID 49766520
Methanone, [4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl](5-methyl-4-nitro-3-isoxazolyl)-
CID 49766534
4-Benzylpiperazinyl 4,5,6,7-tetrahydrobenzo[2,1-d]isoxazol-3-yl ketone
CID 3238948
1-Benzhydryl-4-[(5-isopropylisoxazol-3-yl)carbonyl]piperazine
CID 3242450
4-[(4-Benzhydrylpiperazino)carbonyl]-5-methyl-3-isoxazolecarbohydrazide
CID 3464767
N-benzyl-5-isopropyl-N-methyl-4-nitroisoxazole-3-carboxamide
CID 12004877
N-benzyl-5-isopropyl-4-nitroisoxazole-3-carboxamide
CID 12005001
1-Benzyl-4-[(5-methyl-4-nitroisoxazol-3-yl)carbonyl]piperazine
CID 15945452

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 15945537) is (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1onc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-].
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is SPEXSCOPIHGICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-17(2)23-22(28(30)31)20(25-32-23)24(29)27-15-13-26(14-16-27)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 434.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 15945537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).