N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide

C17H21N5O4 — CID 124969220

IUPACN-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2ccnc([C@@H]3CN(C(C)=O)CCO3)n2)on1
InChIInChI=1S/C17H21N5O4/c1-3-12-8-14(26-21-12)17(24)19-9-13-4-5-18-16(20-13)15-10-22(11(2)23)6-7-25-15/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyJHEXPOFBNKDZBY-HNNXBMFYSA-N
MW359.39 g/mol
LogP0.88
Rot. Bonds5

About N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide

N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide (PubChem CID 124969220) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
PubChem CID124969220
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2ccnc([C@@H]3CN(C(C)=O)CCO3)n2)on1
InChIInChI=1S/C17H21N5O4/c1-3-12-8-14(26-21-12)17(24)19-9-13-4-5-18-16(20-13)15-10-22(11(2)23)6-7-25-15/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyJHEXPOFBNKDZBY-HNNXBMFYSA-N
XLogP0.88
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[[2-[(2R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124981285
N-[[2-[(2R)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125015526
N-[[2-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124950073
N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124954482
3-ethyl-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 110117413
N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125019910
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 124980906
(2S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100752575
N-[[2-[(2R)-4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125026880
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 125024680
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110113951

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide (CID 124969220) is N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)NCc2ccnc([C@@H]3CN(C(C)=O)CCO3)n2)on1.
What is the InChIKey of N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide?
The InChIKey is JHEXPOFBNKDZBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-3-12-8-14(26-21-12)17(24)19-9-13-4-5-18-16(20-13)15-10-22(11(2)23)6-7-25-15/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,19,24)/t15-/m0/s1.
What are the key properties of N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide?
N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124969220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).