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

C21H22N2O3 — CID 164630726

IUPAC2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone
SMILESCCc1ccc([C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1
InChIInChI=1S/C21H22N2O3/c1-2-15-7-9-16(10-8-15)20-14-23(11-12-25-20)21(24)13-18-17-5-3-4-6-19(17)26-22-18/h3-10,20H,2,11-14H2,1H3/t20-/m0/s1
InChIKeyIRWASLZCPFPTCP-FQEVSTJZSA-N
MW350.42 g/mol
LogP3.53
Rot. Bonds4

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

2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone (PubChem CID 164630726) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone
PubChem CID164630726
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone
SMILESCCc1ccc([C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1
InChIInChI=1S/C21H22N2O3/c1-2-15-7-9-16(10-8-15)20-14-23(11-12-25-20)21(24)13-18-17-5-3-4-6-19(17)26-22-18/h3-10,20H,2,11-14H2,1H3/t20-/m0/s1
InChIKeyIRWASLZCPFPTCP-FQEVSTJZSA-N
XLogP3.53
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 55982910
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 95401407
2-(1,2-benzoxazol-3-yl)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 33168189
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 81485666
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
2-(1,2-benzoxazol-3-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120740495
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
2-(1,2-benzoxazol-3-yl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121187000

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone (CID 164630726) is 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone is CCc1ccc([C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone?
The InChIKey is IRWASLZCPFPTCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-15-7-9-16(10-8-15)20-14-23(11-12-25-20)21(24)13-18-17-5-3-4-6-19(17)26-22-18/h3-10,20H,2,11-14H2,1H3/t20-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone has a molecular weight of 350.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 164630726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).