1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one

C19H22N6O2 — CID 110129249

IUPAC1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESCc1noc(C)c1-c1nccc(C2CCCN2C(=O)CCn2ccnc2)n1
InChIInChI=1S/C19H22N6O2/c1-13-18(14(2)27-23-13)19-21-7-5-15(22-19)16-4-3-9-25(16)17(26)6-10-24-11-8-20-12-24/h5,7-8,11-12,16H,3-4,6,9-10H2,1-2H3
InChIKeyHNTNZDZQGOCZRP-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.70
Rot. Bonds5

About 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 110129249) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID110129249
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESCc1noc(C)c1-c1nccc(C2CCCN2C(=O)CCn2ccnc2)n1
InChIInChI=1S/C19H22N6O2/c1-13-18(14(2)27-23-13)19-21-7-5-15(22-19)16-4-3-9-25(16)17(26)6-10-24-11-8-20-12-24/h5,7-8,11-12,16H,3-4,6,9-10H2,1-2H3
InChIKeyHNTNZDZQGOCZRP-UHFFFAOYSA-N
XLogP2.70
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 124961219
1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 125011304
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 110135347
(E)-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 125007040
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 110129247
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110129510
3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125002954
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
CID 124943315
1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95309733
3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004818
3-amino-1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004819

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 110129249) is 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one is Cc1noc(C)c1-c1nccc(C2CCCN2C(=O)CCn2ccnc2)n1.
What is the InChIKey of 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is HNTNZDZQGOCZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-18(14(2)27-23-13)19-21-7-5-15(22-19)16-4-3-9-25(16)17(26)6-10-24-11-8-20-12-24/h5,7-8,11-12,16H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 366.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 110129249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).