(5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

C15H16N4O4 — CID 2931706

IUPAC(5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1
InChIInChI=1S/C15H16N4O4/c1-11-10-14(16-23-11)15(20)18-8-6-17(7-9-18)12-2-4-13(5-3-12)19(21)22/h2-5,10H,6-9H2,1H3
InChIKeyLAUMGJHMGRBTIT-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.85
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 2931706) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
PubChem CID2931706
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1
InChIInChI=1S/C15H16N4O4/c1-11-10-14(16-23-11)15(20)18-8-6-17(7-9-18)12-2-4-13(5-3-12)19(21)22/h2-5,10H,6-9H2,1H3
InChIKeyLAUMGJHMGRBTIT-UHFFFAOYSA-N
XLogP1.85
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-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

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (CID 2931706) is (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The InChIKey is LAUMGJHMGRBTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-11-10-14(16-23-11)15(20)18-8-6-17(7-9-18)12-2-4-13(5-3-12)19(21)22/h2-5,10H,6-9H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 316.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2931706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).