2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone

C21H22N2O4 — CID 95401407

IUPAC2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
SMILESCOc1ccc(C[C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1
InChIInChI=1S/C21H22N2O4/c1-25-16-8-6-15(7-9-16)12-17-14-23(10-11-26-17)21(24)13-19-18-4-2-3-5-20(18)27-22-19/h2-9,17H,10-14H2,1H3/t17-/m1/s1
InChIKeyRFGPHZVXHPOXOE-QGZVFWFLSA-N
MW366.42 g/mol
LogP2.85
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone

2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone (PubChem CID 95401407) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
PubChem CID95401407
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
SMILESCOc1ccc(C[C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1
InChIInChI=1S/C21H22N2O4/c1-25-16-8-6-15(7-9-16)12-17-14-23(10-11-26-17)21(24)13-19-18-4-2-3-5-20(18)27-22-19/h2-9,17H,10-14H2,1H3/t17-/m1/s1
InChIKeyRFGPHZVXHPOXOE-QGZVFWFLSA-N
XLogP2.85
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 164630726
2-(1,2-benzoxazol-3-yl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]ethanone
CID 90593513
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 81485666
2-(1,2-benzoxazol-3-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]ethanone
CID 90591901
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 55982910
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 26334183
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 95455767
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone (CID 95401407) is 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone is COc1ccc(C[C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone?
The InChIKey is RFGPHZVXHPOXOE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-16-8-6-15(7-9-16)12-17-14-23(10-11-26-17)21(24)13-19-18-4-2-3-5-20(18)27-22-19/h2-9,17H,10-14H2,1H3/t17-/m1/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone has a molecular weight of 366.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 95401407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).