1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C19H19N3O3 — CID 110388164

IUPAC1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc4ocnc4c3)CC2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-16-5-3-15(4-6-16)21-8-10-22(11-9-21)19(23)14-2-7-18-17(12-14)20-13-25-18/h2-7,12-13H,8-11H2,1H3
InChIKeyKNDQRGZEMCIHAM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.80
Rot. Bonds3

About 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 110388164) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID110388164
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc4ocnc4c3)CC2)cc1
InChIInChI=1S/C19H19N3O3/c1-24-16-5-3-15(4-6-16)21-8-10-22(11-9-21)19(23)14-2-7-18-17(12-14)20-13-25-18/h2-7,12-13H,8-11H2,1H3
InChIKeyKNDQRGZEMCIHAM-UHFFFAOYSA-N
XLogP2.80
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
CID 110399443
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 100603810
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079610
[4-(1,3-benzoxazole-5-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 110399395
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9265987
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 110388164) is 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3ccc4ocnc4c3)CC2)cc1.
What is the InChIKey of 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is KNDQRGZEMCIHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-5-3-15(4-6-16)21-8-10-22(11-9-21)19(23)14-2-7-18-17(12-14)20-13-25-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-5-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110388164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).