[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone

C22H25N3O4 — CID 95217264

IUPAC[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CCN1
InChIInChI=1S/C22H25N3O4/c1-3-17-12-25(9-8-23-17)22(26)20-13-29-21(24-20)14-28-19-7-5-15-4-6-18(27-2)10-16(15)11-19/h4-7,10-11,13,17,23H,3,8-9,12,14H2,1-2H3/t17-/m1/s1
InChIKeyQFEPNJXRXYUGRX-QGZVFWFLSA-N
MW395.46 g/mol
LogP3.24
Rot. Bonds6

About [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone

[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone (PubChem CID 95217264) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
PubChem CID95217264
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CCN1
InChIInChI=1S/C22H25N3O4/c1-3-17-12-25(9-8-23-17)22(26)20-13-29-21(24-20)14-28-19-7-5-15-4-6-18(27-2)10-16(15)11-19/h4-7,10-11,13,17,23H,3,8-9,12,14H2,1-2H3/t17-/m1/s1
InChIKeyQFEPNJXRXYUGRX-QGZVFWFLSA-N
XLogP3.24
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95219193
(9aS)-2-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95201666
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 95230039
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56713621
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56707470
[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-[(3R)-3-ethylpiperazin-1-yl]methanone
CID 95207006
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56700894
[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56720361
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 97146184

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone (CID 95217264) is [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone is CC[C@@H]1CN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)CCN1.
What is the InChIKey of [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is QFEPNJXRXYUGRX-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-17-12-25(9-8-23-17)22(26)20-13-29-21(24-20)14-28-19-7-5-15-4-6-18(27-2)10-16(15)11-19/h4-7,10-11,13,17,23H,3,8-9,12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone?
[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 395.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 95217264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).