2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one

C18H24N4O4 — CID 135963347

IUPAC2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C(C)C)cc(=O)[nH]2)on1
InChIInChI=1S/C18H24N4O4/c1-11(2)13-10-15(23)20-18(19-13)14-5-4-8-22(14)17(24)7-6-12-9-16(25-3)21-26-12/h9-11,14H,4-8H2,1-3H3,(H,19,20,23)/t14-/m1/s1
InChIKeyUOHZTTANYNMZSE-CQSZACIVSA-N
MW360.41 g/mol
LogP2.19
Rot. Bonds6

About 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135963347) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135963347
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C(C)C)cc(=O)[nH]2)on1
InChIInChI=1S/C18H24N4O4/c1-11(2)13-10-15(23)20-18(19-13)14-5-4-8-22(14)17(24)7-6-12-9-16(25-3)21-26-12/h9-11,14H,4-8H2,1-3H3,(H,19,20,23)/t14-/m1/s1
InChIKeyUOHZTTANYNMZSE-CQSZACIVSA-N
XLogP2.19
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110219169
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124962035
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023544
2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136734978
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110105894
1-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124943361
(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 135963344
(3S)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 135963342
4-propan-2-yl-2-[(2R)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963340
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92555819
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104453
3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]propan-1-one
CID 110103668

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 135963347) is 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one is COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C(C)C)cc(=O)[nH]2)on1.
What is the InChIKey of 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UOHZTTANYNMZSE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11(2)13-10-15(23)20-18(19-13)14-5-4-8-22(14)17(24)7-6-12-9-16(25-3)21-26-12/h9-11,14H,4-8H2,1-3H3,(H,19,20,23)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 360.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135963347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).