[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone

C13H15N5O2 — CID 3857405

IUPAC[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
SMILESNc1ccc(-c2nc(C(=O)N3CCNCC3)co2)cn1
InChIInChI=1S/C13H15N5O2/c14-11-2-1-9(7-16-11)12-17-10(8-20-12)13(19)18-5-3-15-4-6-18/h1-2,7-8,15H,3-6H2,(H2,14,16)
InChIKeyNLSYZNOYOQYDFX-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.36
Rot. Bonds2

About [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone

[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 3857405) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
PubChem CID3857405
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
SMILESNc1ccc(-c2nc(C(=O)N3CCNCC3)co2)cn1
InChIInChI=1S/C13H15N5O2/c14-11-2-1-9(7-16-11)12-17-10(8-20-12)13(19)18-5-3-15-4-6-18/h1-2,7-8,15H,3-6H2,(H2,14,16)
InChIKeyNLSYZNOYOQYDFX-UHFFFAOYSA-N
XLogP0.36
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3857403
[2-(2-aminophenyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
CID 3721387
[2-(3-aminophenyl)-1,3-oxazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 3857561
2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 3273917
(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-(6-amino-3-pyridinyl)-N-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxamide
CID 3861740
2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 88510664
1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid
CID 84557942
[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 4599542
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

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone (CID 3857405) is [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone is Nc1ccc(-c2nc(C(=O)N3CCNCC3)co2)cn1.
What is the InChIKey of [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is NLSYZNOYOQYDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-11-2-1-9(7-16-11)12-17-10(8-20-12)13(19)18-5-3-15-4-6-18/h1-2,7-8,15H,3-6H2,(H2,14,16).
What are the key properties of [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone?
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 273.30 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 3857405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).