[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone

C18H24N4O3 — CID 110116424

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCOC(CCc3ccncn3)C2)on1
InChIInChI=1S/C18H24N4O3/c1-13(2)9-15-10-17(25-21-15)18(23)22-7-8-24-16(11-22)4-3-14-5-6-19-12-20-14/h5-6,10,12-13,16H,3-4,7-9,11H2,1-2H3
InChIKeyPVNFBRHAFCEPLT-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.14
Rot. Bonds6

About [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (PubChem CID 110116424) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
PubChem CID110116424
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCOC(CCc3ccncn3)C2)on1
InChIInChI=1S/C18H24N4O3/c1-13(2)9-15-10-17(25-21-15)18(23)22-7-8-24-16(11-22)4-3-14-5-6-19-12-20-14/h5-6,10,12-13,16H,3-4,7-9,11H2,1-2H3
InChIKeyPVNFBRHAFCEPLT-UHFFFAOYSA-N
XLogP2.14
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
(5-methylpyrazin-2-yl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 125018190
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986520
(5-methylpyrazin-2-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116321
[3-(methoxymethyl)phenyl]-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124997143
[3-(methoxymethyl)phenyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110119032
(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116322
(3-fluoro-4-methoxyphenyl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124944270
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124988560
1-benzothiophen-2-yl-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124940586
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 124940249

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (CID 110116424) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is CC(C)Cc1cc(C(=O)N2CCOC(CCc3ccncn3)C2)on1.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The InChIKey is PVNFBRHAFCEPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)9-15-10-17(25-21-15)18(23)22-7-8-24-16(11-22)4-3-14-5-6-19-12-20-14/h5-6,10,12-13,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110116424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).