3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole

C32H36N2O5 — CID 142762967

IUPAC3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
SMILESc1cc(-c2cc(COCc3cc(-c4ccc(OCC5CCCC5)cc4)no3)on2)ccc1OCC1CCCC1
InChIInChI=1S/C32H36N2O5/c1-2-6-23(5-1)19-36-27-13-9-25(10-14-27)31-17-29(38-33-31)21-35-22-30-18-32(34-39-30)26-11-15-28(16-12-26)37-20-24-7-3-4-8-24/h9-18,23-24H,1-8,19-22H2
InChIKeyQESHMUPFZAAZKR-UHFFFAOYSA-N
MW528.65 g/mol
LogP7.85
Rot. Bonds12

About 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole

3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole (PubChem CID 142762967) has the molecular formula C32H36N2O5 and a molecular weight of 528.65 g/mol. Its IUPAC name is 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
PubChem CID142762967
Molecular FormulaC32H36N2O5
Molecular Weight528.65 g/mol
Exact Mass528.26
IUPAC Name3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
SMILESc1cc(-c2cc(COCc3cc(-c4ccc(OCC5CCCC5)cc4)no3)on2)ccc1OCC1CCCC1
InChIInChI=1S/C32H36N2O5/c1-2-6-23(5-1)19-36-27-13-9-25(10-14-27)31-17-29(38-33-31)21-35-22-30-18-32(34-39-30)26-11-15-28(16-12-26)37-20-24-7-3-4-8-24/h9-18,23-24H,1-8,19-22H2
InChIKeyQESHMUPFZAAZKR-UHFFFAOYSA-N
XLogP7.85
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(trifluoromethylsulfanylmethoxy)phenyl]-5-[[3-[4-(trifluoromethylsulfanylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762896
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762879
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole
CID 45005556
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
5-[4-(cyclopropylmethoxy)phenyl]-3-methyl-1,2,4-oxadiazole
CID 91283745
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
CID 5200457
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The IUPAC name of 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole (CID 142762967) is 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole is c1cc(-c2cc(COCc3cc(-c4ccc(OCC5CCCC5)cc4)no3)on2)ccc1OCC1CCCC1.
What is the InChIKey of 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
The InChIKey is QESHMUPFZAAZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O5/c1-2-6-23(5-1)19-36-27-13-9-25(10-14-27)31-17-29(38-33-31)21-35-22-30-18-32(34-39-30)26-11-15-28(16-12-26)37-20-24-7-3-4-8-24/h9-18,23-24H,1-8,19-22H2.
What are the key properties of 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole?
3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole has a molecular weight of 528.65 g/mol, XLogP of 7.85, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylmethoxy)phenyl]-5-[[3-[4-(cyclopentylmethoxy)phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole is sourced from PubChem (CID 142762967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).