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

C19H17ClN2O3 — CID 55982910

IUPAC2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN2O3/c20-14-7-5-13(6-8-14)18-12-22(9-10-24-18)19(23)11-16-15-3-1-2-4-17(15)25-21-16/h1-8,18H,9-12H2
InChIKeyRSQLNVPEBNNFRW-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.62
Rot. Bonds3

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

2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone (PubChem CID 55982910) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone
PubChem CID55982910
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN2O3/c20-14-7-5-13(6-8-14)18-12-22(9-10-24-18)19(23)11-16-15-3-1-2-4-17(15)25-21-16/h1-8,18H,9-12H2
InChIKeyRSQLNVPEBNNFRW-UHFFFAOYSA-N
XLogP3.62
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 164630726
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 81485666
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 95401407
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
2-(1,2-benzoxazol-3-yl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121187000
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
2-(1,2-benzoxazol-3-yl)-1-(4-chloro-3-methylpiperidin-1-yl)ethanone
CID 114682976

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone (CID 55982910) is 2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone is O=C(Cc1noc2ccccc12)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone?
The InChIKey is RSQLNVPEBNNFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-14-7-5-13(6-8-14)18-12-22(9-10-24-18)19(23)11-16-15-3-1-2-4-17(15)25-21-16/h1-8,18H,9-12H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone has a molecular weight of 356.81 g/mol, XLogP of 3.62, 3 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-[2-(4-chlorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 55982910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).