2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone

C16H20N4O3 — CID 125000690

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESCc1ccnc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1
InChIInChI=1S/C16H20N4O3/c1-10-4-5-17-16(18-10)14-9-20(6-7-22-14)15(21)8-13-11(2)19-23-12(13)3/h4-5,14H,6-9H2,1-3H3/t14-/m1/s1
InChIKeyRXONPCDZKDYOKI-CQSZACIVSA-N
MW316.36 g/mol
LogP1.53
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone (PubChem CID 125000690) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
PubChem CID125000690
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESCc1ccnc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1
InChIInChI=1S/C16H20N4O3/c1-10-4-5-17-16(18-10)14-9-20(6-7-22-14)15(21)8-13-11(2)19-23-12(13)3/h4-5,14H,6-9H2,1-3H3/t14-/m1/s1
InChIKeyRXONPCDZKDYOKI-CQSZACIVSA-N
XLogP1.53
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 127246561
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115520
1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110115499
1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124944644
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
CID 124974362
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125009198
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 110116517
2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115486
N-[[2-[(2R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124981285
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone (CID 125000690) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone is Cc1ccnc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The InChIKey is RXONPCDZKDYOKI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-4-5-17-16(18-10)14-9-20(6-7-22-14)15(21)8-13-11(2)19-23-12(13)3/h4-5,14H,6-9H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone has a molecular weight of 316.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 125000690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).