4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole

C24H27NO5 — CID 21224406

IUPAC4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCOc1cc(CCCC2OCCO2)ccc1OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C24H27NO5/c1-17-20(25-24(30-17)19-8-4-3-5-9-19)16-29-21-12-11-18(15-22(21)26-2)7-6-10-23-27-13-14-28-23/h3-5,8-9,11-12,15,23H,6-7,10,13-14,16H2,1-2H3
InChIKeyPCUODFZHPXNSER-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.93
Rot. Bonds9

About 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole

4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 21224406) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID21224406
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCOc1cc(CCCC2OCCO2)ccc1OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C24H27NO5/c1-17-20(25-24(30-17)19-8-4-3-5-9-19)16-29-21-12-11-18(15-22(21)26-2)7-6-10-23-27-13-14-28-23/h3-5,8-9,11-12,15,23H,6-7,10,13-14,16H2,1-2H3
InChIKeyPCUODFZHPXNSER-UHFFFAOYSA-N
XLogP4.93
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
CID 22622692
4-[6-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexyl]-1,3-oxazolidine-2,5-dione
CID 21224448
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
4-[3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-propoxyphenyl]propyl]-1,3-oxazolidine-2,5-dione
CID 21224441
2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]acetic acid
CID 69431218
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol
CID 67598182
2-[[4-methoxy-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-2-phenylacetic acid
CID 91372333
3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-methylpyrazole-4-carboxamide
CID 69217464
sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate
CID 59571762
[1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol
CID 69217757
4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one
CID 3817337
sodium 4-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxybutanoate
CID 59571763

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole (CID 21224406) is 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole is COc1cc(CCCC2OCCO2)ccc1OCc1nc(-c2ccccc2)oc1C.
What is the InChIKey of 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is PCUODFZHPXNSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-17-20(25-24(30-17)19-8-4-3-5-9-19)16-29-21-12-11-18(15-22(21)26-2)7-6-10-23-27-13-14-28-23/h3-5,8-9,11-12,15,23H,6-7,10,13-14,16H2,1-2H3.
What are the key properties of 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 409.48 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 21224406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).