[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C18H25N5O3 — CID 86949257

IUPAC[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCCOc1cc(C)nc(N2CCN(C(=O)c3cc(C(C)C)no3)CC2)n1
InChIInChI=1S/C18H25N5O3/c1-5-25-16-10-13(4)19-18(20-16)23-8-6-22(7-9-23)17(24)15-11-14(12(2)3)21-26-15/h10-12H,5-9H2,1-4H3
InChIKeyVVXHDUFQWUUIHD-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.26
Rot. Bonds5

About [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 86949257) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID86949257
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCCOc1cc(C)nc(N2CCN(C(=O)c3cc(C(C)C)no3)CC2)n1
InChIInChI=1S/C18H25N5O3/c1-5-25-16-10-13(4)19-18(20-16)23-8-6-22(7-9-23)17(24)15-11-14(12(2)3)21-26-15/h10-12H,5-9H2,1-4H3
InChIKeyVVXHDUFQWUUIHD-UHFFFAOYSA-N
XLogP2.26
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 86905482
[(1S)-cyclohex-3-en-1-yl]-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 95294197
(2S)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95293130
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95291866
5-[(1R)-1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95299010
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95308710
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56796895
[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294918
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 97216177
3-[[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 122029027

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 86949257) is [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is CCOc1cc(C)nc(N2CCN(C(=O)c3cc(C(C)C)no3)CC2)n1.
What is the InChIKey of [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is VVXHDUFQWUUIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-5-25-16-10-13(4)19-18(20-16)23-8-6-22(7-9-23)17(24)15-11-14(12(2)3)21-26-15/h10-12H,5-9H2,1-4H3.
What are the key properties of [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 86949257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).