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

C17H18N4O4 — CID 17420897

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H18N4O4/c22-17(13-11-16(25-18-13)12-5-6-12)20-9-7-19(8-10-20)14-3-1-2-4-15(14)21(23)24/h1-4,11-12H,5-10H2
InChIKeyLPNVHBHLUMEDPD-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.42
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 17420897) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
PubChem CID17420897
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H18N4O4/c22-17(13-11-16(25-18-13)12-5-6-12)20-9-7-19(8-10-20)14-3-1-2-4-15(14)21(23)24/h1-4,11-12H,5-10H2
InChIKeyLPNVHBHLUMEDPD-UHFFFAOYSA-N
XLogP2.42
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.42
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'}

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Related Compounds

[4-(2-nitrophenyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51311705
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 71941545
(3-methyl-1,2-oxazol-5-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 27825860
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382
[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55929244
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 71998367
methyl 4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzoate
CID 27824973
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 55839140
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
6-cyclopropyl-2-methylsulfanyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyridine-3-carbonitrile
CID 38631470
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 26782998
(3,6-dichloro-2-pyridinyl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 26783004

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone (CID 17420897) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone is O=C(c1cc(C2CC2)on1)N1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone?
The InChIKey is LPNVHBHLUMEDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-17(13-11-16(25-18-13)12-5-6-12)20-9-7-19(8-10-20)14-3-1-2-4-15(14)21(23)24/h1-4,11-12H,5-10H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 342.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17420897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).