[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

C14H19N3O5 — CID 18092066

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C(C)C)c1C(=O)OC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C14H19N3O5/c1-7(2)11-10(8(3)16-22-11)13(19)21-9(4)12(18)17-6-5-15-14(17)20/h7,9H,5-6H2,1-4H3,(H,15,20)
InChIKeySPWDDRVBOUUMAO-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.20
Rot. Bonds4

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (PubChem CID 18092066) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
PubChem CID18092066
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C(C)C)c1C(=O)OC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C14H19N3O5/c1-7(2)11-10(8(3)16-22-11)13(19)21-9(4)12(18)17-6-5-15-14(17)20/h7,9H,5-6H2,1-4H3,(H,15,20)
InChIKeySPWDDRVBOUUMAO-UHFFFAOYSA-N
XLogP1.20
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46574508
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 18091731
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18090871
2-O-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 41013005
3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one
CID 63608094
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382216
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 9064222
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(dimethylamino)benzoate
CID 18090949
[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 17395005

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate (CID 18092066) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is Cc1noc(C(C)C)c1C(=O)OC(C)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
The InChIKey is SPWDDRVBOUUMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-7(2)11-10(8(3)16-22-11)13(19)21-9(4)12(18)17-6-5-15-14(17)20/h7,9H,5-6H2,1-4H3,(H,15,20).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 18092066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).