3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide

C18H25N5O3 — CID 110129167

IUPAC3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide
SMILESCc1noc(C)c1-c1cc(CCC2CN(CCC(N)=O)CCO2)ncn1
InChIInChI=1S/C18H25N5O3/c1-12-18(13(2)26-22-12)16-9-14(20-11-21-16)3-4-15-10-23(7-8-25-15)6-5-17(19)24/h9,11,15H,3-8,10H2,1-2H3,(H2,19,24)
InChIKeyKFDFILXXNFFYGE-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.26
Rot. Bonds7

About 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide

3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide (PubChem CID 110129167) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide.

Molecular Properties

Compound Name3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide
PubChem CID110129167
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide
SMILESCc1noc(C)c1-c1cc(CCC2CN(CCC(N)=O)CCO2)ncn1
InChIInChI=1S/C18H25N5O3/c1-12-18(13(2)26-22-12)16-9-14(20-11-21-16)3-4-15-10-23(7-8-25-15)6-5-17(19)24/h9,11,15H,3-8,10H2,1-2H3,(H2,19,24)
InChIKeyKFDFILXXNFFYGE-UHFFFAOYSA-N
XLogP1.26
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propanamide
CID 175656733
2-amino-1-[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124990596
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 110116517
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 110116516
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110129347
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124941515
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129263
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 110129186
3-[2-(aminomethyl)morpholin-4-yl]propanamide
CID 61336433
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124993832
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 124988744
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide?
The IUPAC name of 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide (CID 110129167) is 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide.
What is the SMILES notation for 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide?
The canonical SMILES for 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide is Cc1noc(C)c1-c1cc(CCC2CN(CCC(N)=O)CCO2)ncn1.
What is the InChIKey of 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide?
The InChIKey is KFDFILXXNFFYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-18(13(2)26-22-12)16-9-14(20-11-21-16)3-4-15-10-23(7-8-25-15)6-5-17(19)24/h9,11,15H,3-8,10H2,1-2H3,(H2,19,24).
What are the key properties of 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide?
3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]ethyl]morpholin-4-yl]propanamide is sourced from PubChem (CID 110129167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).