[2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone

C14H16N4O2 — CID 3721387

IUPAC[2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
SMILESNc1ccccc1-c1nc(C(=O)N2CCNCC2)co1
InChIInChI=1S/C14H16N4O2/c15-11-4-2-1-3-10(11)13-17-12(9-20-13)14(19)18-7-5-16-6-8-18/h1-4,9,16H,5-8,15H2
InChIKeyJNNNHRVGJJCHBA-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.97
Rot. Bonds2

About [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone

[2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 3721387) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
PubChem CID3721387
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
SMILESNc1ccccc1-c1nc(C(=O)N2CCNCC2)co1
InChIInChI=1S/C14H16N4O2/c15-11-4-2-1-3-10(11)13-17-12(9-20-13)14(19)18-7-5-16-6-8-18/h1-4,9,16H,5-8,15H2
InChIKeyJNNNHRVGJJCHBA-UHFFFAOYSA-N
XLogP0.97
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
CID 3857405
[2-(3-aminophenyl)-1,3-oxazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 3857561
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996015
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
[2-(2-chlorophenyl)-1,3-oxazol-4-yl]-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone
CID 154794770
2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
CID 3431845
2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3674009
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3857403
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone (CID 3721387) is [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone is Nc1ccccc1-c1nc(C(=O)N2CCNCC2)co1.
What is the InChIKey of [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is JNNNHRVGJJCHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-11-4-2-1-3-10(11)13-17-12(9-20-13)14(19)18-7-5-16-6-8-18/h1-4,9,16H,5-8,15H2.
What are the key properties of [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone?
[2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 272.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 3721387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).