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

C13H14N4O2 — CID 3857403

IUPAC[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ccc(-c2nc(C(=O)N3CCCC3)co2)cn1
InChIInChI=1S/C13H14N4O2/c14-11-4-3-9(7-15-11)12-16-10(8-19-12)13(18)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H2,14,15)
InChIKeyOOQYEEYIHMOVBW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.55
Rot. Bonds2

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

[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3857403) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID3857403
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ccc(-c2nc(C(=O)N3CCCC3)co2)cn1
InChIInChI=1S/C13H14N4O2/c14-11-4-3-9(7-15-11)12-16-10(8-19-12)13(18)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H2,14,15)
InChIKeyOOQYEEYIHMOVBW-UHFFFAOYSA-N
XLogP1.55
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-piperazin-1-ylmethanone
CID 3857405
2-(6-amino-3-pyridinyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 3273917
[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 25204503
[2-(3-aminophenyl)-1,3-oxazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 3857561
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
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
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide
CID 10238050

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 3857403) is [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is Nc1ccc(-c2nc(C(=O)N3CCCC3)co2)cn1.
What is the InChIKey of [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OOQYEEYIHMOVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-11-4-3-9(7-15-11)12-16-10(8-19-12)13(18)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H2,14,15).
What are the key properties of [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 258.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3857403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).