3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one

C20H27N5O3 — CID 110245858

IUPAC3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCCOc1cc(CCC(=O)N2CCCCC2c2ncc3c(n2)CCNC3)on1
InChIInChI=1S/C20H27N5O3/c1-2-27-18-11-15(28-24-18)6-7-19(26)25-10-4-3-5-17(25)20-22-13-14-12-21-9-8-16(14)23-20/h11,13,17,21H,2-10,12H2,1H3
InChIKeySPFRBJIUTNWQQA-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.20
Rot. Bonds6

About 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one

3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110245858) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110245858
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCCOc1cc(CCC(=O)N2CCCCC2c2ncc3c(n2)CCNC3)on1
InChIInChI=1S/C20H27N5O3/c1-2-27-18-11-15(28-24-18)6-7-19(26)25-10-4-3-5-17(25)20-22-13-14-12-21-9-8-16(14)23-20/h11,13,17,21H,2-10,12H2,1H3
InChIKeySPFRBJIUTNWQQA-UHFFFAOYSA-N
XLogP2.20
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110240725
3-(4-methoxyphenyl)-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92595620
2-cyclopentyl-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92567872
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110240369
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 92571816
1-[(2R)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596439
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
2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216072
2-(2-fluorophenyl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110240733
(2,6-dimethoxyphenyl)-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92600499
5,6,7,8-tetrahydronaphthalen-2-yl-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92571763
2-(2,5-dimethyl-1H-indol-3-yl)-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92560099

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (CID 110245858) is 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is CCOc1cc(CCC(=O)N2CCCCC2c2ncc3c(n2)CCNC3)on1.
What is the InChIKey of 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SPFRBJIUTNWQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-2-27-18-11-15(28-24-18)6-7-19(26)25-10-4-3-5-17(25)20-22-13-14-12-21-9-8-16(14)23-20/h11,13,17,21H,2-10,12H2,1H3.
What are the key properties of 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 385.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-1,2-oxazol-5-yl)-1-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110245858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).