[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

C19H25N3O3 — CID 9068979

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(CC)noc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-4-15-18(14(3)25-20-15)19(23)22-12-10-21(11-13-22)16-8-6-7-9-17(16)24-5-2/h6-9H,4-5,10-13H2,1-3H3
InChIKeyAFPOJJGSPOSNKY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.91
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 9068979) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID9068979
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(CC)noc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-4-15-18(14(3)25-20-15)19(23)22-12-10-21(11-13-22)16-8-6-7-9-17(16)24-5-2/h6-9H,4-5,10-13H2,1-3H3
InChIKeyAFPOJJGSPOSNKY-UHFFFAOYSA-N
XLogP2.91
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 9068979) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCOc1ccccc1N1CCN(C(=O)c2c(CC)noc2C)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is AFPOJJGSPOSNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-15-18(14(3)25-20-15)19(23)22-12-10-21(11-13-22)16-8-6-7-9-17(16)24-5-2/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 9068979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).