[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C17H20N2O4 — CID 124944341

IUPAC[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3coc(C)n3)CCO2)cc1
InChIInChI=1S/C17H20N2O4/c1-12-18-16(11-23-12)17(20)19-7-8-22-15(10-19)9-13-3-5-14(21-2)6-4-13/h3-6,11,15H,7-10H2,1-2H3/t15-/m0/s1
InChIKeyBIZRPVFWWJNATE-HNNXBMFYSA-N
MW316.36 g/mol
LogP2.08
Rot. Bonds4

About [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 124944341) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID124944341
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccc(C[C@H]2CN(C(=O)c3coc(C)n3)CCO2)cc1
InChIInChI=1S/C17H20N2O4/c1-12-18-16(11-23-12)17(20)19-7-8-22-15(10-19)9-13-3-5-14(21-2)6-4-13/h3-6,11,15H,7-10H2,1-2H3/t15-/m0/s1
InChIKeyBIZRPVFWWJNATE-HNNXBMFYSA-N
XLogP2.08
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 124977955
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 124994504
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42382131
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 25313075
(6-benzyl-1,4-oxazepan-4-yl)-(2-methyl-1,3-oxazol-4-yl)methanone
CID 102604379
3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 26334183
[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810807
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 95401407
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
(2-ethylmorpholin-4-yl)-(6-methoxyquinolin-2-yl)methanone
CID 146085525
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 124944341) is [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is COc1ccc(C[C@H]2CN(C(=O)c3coc(C)n3)CCO2)cc1.
What is the InChIKey of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is BIZRPVFWWJNATE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-18-16(11-23-12)17(20)19-7-8-22-15(10-19)9-13-3-5-14(21-2)6-4-13/h3-6,11,15H,7-10H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 124944341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).