1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone

C21H23N3O3 — CID 22519868

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone
SMILESCOc1cccc(N2CCN(C(=O)Cc3noc4ccc(C)cc34)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-15-6-7-20-18(12-15)19(22-27-20)14-21(25)24-10-8-23(9-11-24)16-4-3-5-17(13-16)26-2/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXKUJBAFLEWAPMN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone (PubChem CID 22519868) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone
PubChem CID22519868
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone
SMILESCOc1cccc(N2CCN(C(=O)Cc3noc4ccc(C)cc34)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-15-6-7-20-18(12-15)19(22-27-20)14-21(25)24-10-8-23(9-11-24)16-4-3-5-17(13-16)26-2/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXKUJBAFLEWAPMN-UHFFFAOYSA-N
XLogP3.04
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chlorophenyl)-N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]piperazine-1-carboxamide
CID 20901486
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 31913134
1-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9372365
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 38601130
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one
CID 121063732
2-(4-methoxyphenyl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 35875948
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 38599623
(2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9371844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone (CID 22519868) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone is COc1cccc(N2CCN(C(=O)Cc3noc4ccc(C)cc34)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone?
The InChIKey is XKUJBAFLEWAPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-6-7-20-18(12-15)19(22-27-20)14-21(25)24-10-8-23(9-11-24)16-4-3-5-17(13-16)26-2/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone has a molecular weight of 365.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-1,2-benzoxazol-3-yl)ethanone is sourced from PubChem (CID 22519868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).