2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

C27H30N4O2 — CID 11048488

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCOc1ccccc1N1CCN(CCNCc2coc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C27H30N4O2/c1-32-26-9-5-4-8-25(26)31-16-14-30(15-17-31)13-12-28-19-24-20-33-27(29-24)23-11-10-21-6-2-3-7-22(21)18-23/h2-11,18,20,28H,12-17,19H2,1H3
InChIKeyXISSXEYXFUJWDA-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.42
Rot. Bonds8

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 11048488) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID11048488
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCOc1ccccc1N1CCN(CCNCc2coc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C27H30N4O2/c1-32-26-9-5-4-8-25(26)31-16-14-30(15-17-31)13-12-28-19-24-20-33-27(29-24)23-11-10-21-6-2-3-7-22(21)18-23/h2-11,18,20,28H,12-17,19H2,1H3
InChIKeyXISSXEYXFUJWDA-UHFFFAOYSA-N
XLogP4.42
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 44451689
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CID 3238586
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1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520
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CID 45259996
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CID 45260041
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CID 9894265
2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10194571
N-Methyl-4-{(E)-2-[({methyl-[2-methyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-carbamoyl}-methyl)-carbamoyl]-vinyl}-benzamide
CID 10744917
1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 71300337
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)-1,3-oxazole
CID 71524589
1-[[2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 71656053

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 11048488) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is COc1ccccc1N1CCN(CCNCc2coc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is XISSXEYXFUJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-32-26-9-5-4-8-25(26)31-16-14-30(15-17-31)13-12-28-19-24-20-33-27(29-24)23-11-10-21-6-2-3-7-22(21)18-23/h2-11,18,20,28H,12-17,19H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 442.56 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 11048488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).