[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone

C12H17N3O2 — CID 3851144

IUPAC[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCC(C)C(N)c1nc(C(=O)N2CC=CC2)co1
InChIInChI=1S/C12H17N3O2/c1-8(2)10(13)11-14-9(7-17-11)12(16)15-5-3-4-6-15/h3-4,7-8,10H,5-6,13H2,1-2H3
InChIKeyATRCURXVSRHIDX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.34
Rot. Bonds3

About [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 3851144) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID3851144
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCC(C)C(N)c1nc(C(=O)N2CC=CC2)co1
InChIInChI=1S/C12H17N3O2/c1-8(2)10(13)11-14-9(7-17-11)12(16)15-5-3-4-6-15/h3-4,7-8,10H,5-6,13H2,1-2H3
InChIKeyATRCURXVSRHIDX-UHFFFAOYSA-N
XLogP1.34
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
[2-(1-amino-2-methylbutyl)-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 3435157
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3469228
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
2-(1-amino-2-methylpropyl)-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 3469649
2-(1-amino-2-methylpropyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3827756
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3850439
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone (CID 3851144) is [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone is CC(C)C(N)c1nc(C(=O)N2CC=CC2)co1.
What is the InChIKey of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is ATRCURXVSRHIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)10(13)11-14-9(7-17-11)12(16)15-5-3-4-6-15/h3-4,7-8,10H,5-6,13H2,1-2H3.
What are the key properties of [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone?
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 3851144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).