[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone

C19H25N5O2 — CID 135233845

IUPAC[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESCNc1nc(C2=CCN(C(=O)c3ccon3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C19H25N5O2/c1-19(2,3)12-21-15-6-5-14(22-17(15)20-4)13-7-9-24(11-13)18(25)16-8-10-26-23-16/h5-8,10,21H,9,11-12H2,1-4H3,(H,20,22)
InChIKeyIUBBTGPIZOPXTJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.11
Rot. Bonds5

About [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone

[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 135233845) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID135233845
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESCNc1nc(C2=CCN(C(=O)c3ccon3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C19H25N5O2/c1-19(2,3)12-21-15-6-5-14(22-17(15)20-4)13-7-9-24(11-13)18(25)16-8-10-26-23-16/h5-8,10,21H,9,11-12H2,1-4H3,(H,20,22)
InChIKeyIUBBTGPIZOPXTJ-UHFFFAOYSA-N
XLogP3.11
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
2-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]propanethioamide
CID 63340423
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
N-(3-amino-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 83619403
2-(1,2-oxazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997286
(3-chloro-4-methylpyrrolidin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 131007244
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 135233732
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide
CID 135233552
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
CID 134296437

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone (CID 135233845) is [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone is CNc1nc(C2=CCN(C(=O)c3ccon3)C2)ccc1NCC(C)(C)C.
What is the InChIKey of [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is IUBBTGPIZOPXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-19(2,3)12-21-15-6-5-14(22-17(15)20-4)13-7-9-24(11-13)18(25)16-8-10-26-23-16/h5-8,10,21H,9,11-12H2,1-4H3,(H,20,22).
What are the key properties of [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone?
[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,5-dihydropyrrol-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 135233845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).