5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole

C20H25N5O3 — CID 95801058

IUPAC5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCOCCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)CC1
InChIInChI=1S/C20H25N5O3/c1-14-12-18(28-23-14)16-13-21-20(22-19(16)17-5-4-15(2)27-17)25-8-6-24(7-9-25)10-11-26-3/h4-5,12-13H,6-11H2,1-3H3
InChIKeySVBYQAPYGWRELC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.78
Rot. Bonds6

About 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole

5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 95801058) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID95801058
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCOCCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)CC1
InChIInChI=1S/C20H25N5O3/c1-14-12-18(28-23-14)16-13-21-20(22-19(16)17-5-4-15(2)27-17)25-8-6-24(7-9-25)10-11-26-3/h4-5,12-13H,6-11H2,1-3H3
InChIKeySVBYQAPYGWRELC-UHFFFAOYSA-N
XLogP2.78
TPSA80.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrimidine-4-carboxamide, 26
CID 11220580
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492943
(3S)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492999
(3R)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141493000
Pyrimidine-4-carboxamide, 91
CID 44520971
Pyrimidine-4-carboxamide, 93
CID 44520972
Pyrimidine-4-carboxamide, 92
CID 44520973
Pyrimidine-4-carboxamide, 94
CID 44520974
Pyrimidine-4-carboxamide, 28
CID 44520987
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 95801058) is 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole is COCCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)CC1.
What is the InChIKey of 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is SVBYQAPYGWRELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-12-18(28-23-14)16-13-21-20(22-19(16)17-5-4-15(2)27-17)25-8-6-24(7-9-25)10-11-26-3/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 383.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95801058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).