5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C19H18ClN3O4 — CID 110361243

IUPAC5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C19H18ClN3O4/c20-13-1-4-15(5-2-13)26-12-18(24)23-9-7-22(8-10-23)14-3-6-17-16(11-14)21-19(25)27-17/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyJYEYMTIKBXAMHD-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.50
Rot. Bonds4

About 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110361243) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110361243
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C19H18ClN3O4/c20-13-1-4-15(5-2-13)26-12-18(24)23-9-7-22(8-10-23)14-3-6-17-16(11-14)21-19(25)27-17/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyJYEYMTIKBXAMHD-UHFFFAOYSA-N
XLogP2.50
TPSA78.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642459
5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662247
6-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361367
5-[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethoxy]-3H-1,3-benzoxazol-2-one
CID 11711113
5-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662246
2-(4-chlorophenoxy)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643390
2-(4-chlorophenoxy)-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 110363806
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390433
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
CID 23074043
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 135933432

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110361243) is 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one is O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is JYEYMTIKBXAMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c20-13-1-4-15(5-2-13)26-12-18(24)23-9-7-22(8-10-23)14-3-6-17-16(11-14)21-19(25)27-17/h1-6,11H,7-10,12H2,(H,21,25).
What are the key properties of 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 387.82 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110361243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).