5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole

C20H23N5O2 — CID 124912884

IUPAC5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCN4CCC[C@H]4C3)nc2-c2ccoc2C)on1
InChIInChI=1S/C20H23N5O2/c1-13-10-18(27-23-13)17-11-21-20(22-19(17)16-5-9-26-14(16)2)25-8-7-24-6-3-4-15(24)12-25/h5,9-11,15H,3-4,6-8,12H2,1-2H3/t15-/m0/s1
InChIKeyONCNAOXJHBGGMA-HNNXBMFYSA-N
MW365.44 g/mol
LogP3.29
Rot. Bonds3

About 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole

5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 124912884) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID124912884
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCN4CCC[C@H]4C3)nc2-c2ccoc2C)on1
InChIInChI=1S/C20H23N5O2/c1-13-10-18(27-23-13)17-11-21-20(22-19(17)16-5-9-26-14(16)2)25-8-7-24-6-3-4-15(24)12-25/h5,9-11,15H,3-4,6-8,12H2,1-2H3/t15-/m0/s1
InChIKeyONCNAOXJHBGGMA-HNNXBMFYSA-N
XLogP3.29
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole with MolForge

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Related Compounds

(3S,4R)-1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 124912954
1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol
CID 46960986
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-2-yl]morpholine
CID 110219861
3-methyl-5-[4-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
CID 95799300
(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
CID 86702429
furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584582
furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584583
(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95800124
5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95803023
(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 142717581
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186302
5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95801058

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 124912884) is 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2cnc(N3CCN4CCC[C@H]4C3)nc2-c2ccoc2C)on1.
What is the InChIKey of 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is ONCNAOXJHBGGMA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-10-18(27-23-13)17-11-21-20(22-19(17)16-5-9-26-14(16)2)25-8-7-24-6-3-4-15(24)12-25/h5,9-11,15H,3-4,6-8,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 365.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 124912884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).