3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole

C27H29N3O2 — CID 166338022

IUPAC3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole
SMILESCc1ccccc1OCCN1CCN(Cc2cc(-c3ccc4ccccc4c3)on2)CC1
InChIInChI=1S/C27H29N3O2/c1-21-6-2-5-9-26(21)31-17-16-29-12-14-30(15-13-29)20-25-19-27(32-28-25)24-11-10-22-7-3-4-8-23(22)18-24/h2-11,18-19H,12-17,20H2,1H3
InChIKeyUJQFRUXYFVCTPG-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.00
Rot. Bonds7

About 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole

3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole (PubChem CID 166338022) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole
PubChem CID166338022
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole
SMILESCc1ccccc1OCCN1CCN(Cc2cc(-c3ccc4ccccc4c3)on2)CC1
InChIInChI=1S/C27H29N3O2/c1-21-6-2-5-9-26(21)31-17-16-29-12-14-30(15-13-29)20-25-19-27(32-28-25)24-11-10-22-7-3-4-8-23(22)18-24/h2-11,18-19H,12-17,20H2,1H3
InChIKeyUJQFRUXYFVCTPG-UHFFFAOYSA-N
XLogP5.00
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-2-methylisoquinolin-1-one
CID 154956306
3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10409174
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-enenitrile
CID 12793386
(Z)-2-(1,2-benzoxazol-3-yl)-3-[2-[2-(4-benzylpiperazin-1-yl)ethoxy]phenyl]prop-2-enenitrile;hydrochloride
CID 49860179
5-[4-[(3-Methoxyphenyl)methoxy]phenyl]-3-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 164609256
5-[4-[(2-Methoxyphenyl)methoxy]phenyl]-3-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 164612974
5-[4-[(3,5-Dimethylphenyl)methoxy]phenyl]-3-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 164620441
3-[[4-[3-[[4-[[4-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,2-oxazol-5-yl]phenoxy]methyl]benzonitrile
CID 164622444
3-[[3-Methyl-4-[3-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,2-oxazol-5-yl]phenoxy]methyl]benzonitrile
CID 164624843
3-[[2-Methyl-4-[3-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,2-oxazol-5-yl]phenoxy]methyl]benzonitrile
CID 164625356
6-Fluoro-3-[1-[3-[3-methyl-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-yl]-1,2-benzoxazole
CID 164628738
1-Methyl-4-[4-(5-phenyl-isoxazol-3-yl)-phenoxymethyl]-piperidine
CID 9968185

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole?
The IUPAC name of 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole (CID 166338022) is 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole?
The canonical SMILES for 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole is Cc1ccccc1OCCN1CCN(Cc2cc(-c3ccc4ccccc4c3)on2)CC1.
What is the InChIKey of 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole?
The InChIKey is UJQFRUXYFVCTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-21-6-2-5-9-26(21)31-17-16-29-12-14-30(15-13-29)20-25-19-27(32-28-25)24-11-10-22-7-3-4-8-23(22)18-24/h2-11,18-19H,12-17,20H2,1H3.
What are the key properties of 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole?
3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole has a molecular weight of 427.55 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methyl]-5-naphthalen-2-yl-1,2-oxazole is sourced from PubChem (CID 166338022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).