4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine

C29H38N2O3 — CID 122376206

IUPAC4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine
SMILESCCCCCCCCCCOc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)no2)cc1
InChIInChI=1S/C29H38N2O3/c1-2-3-4-5-6-7-8-9-20-33-27-16-12-25(13-17-27)29-23-28(30-34-29)24-10-14-26(15-11-24)31-18-21-32-22-19-31/h10-17,23H,2-9,18-22H2,1H3
InChIKeyLZJYBDOCRCQVSD-UHFFFAOYSA-N
MW462.63 g/mol
LogP7.36
Rot. Bonds13

About 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine

4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine (PubChem CID 122376206) has the molecular formula C29H38N2O3 and a molecular weight of 462.63 g/mol. Its IUPAC name is 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine
PubChem CID122376206
Molecular FormulaC29H38N2O3
Molecular Weight462.63 g/mol
Exact Mass462.29
IUPAC Name4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine
SMILESCCCCCCCCCCOc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)no2)cc1
InChIInChI=1S/C29H38N2O3/c1-2-3-4-5-6-7-8-9-20-33-27-16-12-25(13-17-27)29-23-28(30-34-29)24-10-14-26(15-11-24)31-18-21-32-22-19-31/h10-17,23H,2-9,18-22H2,1H3
InChIKeyLZJYBDOCRCQVSD-UHFFFAOYSA-N
XLogP7.36
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-5-(4-decoxyphenyl)-1,2-oxazole
CID 25227832
3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
4-[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]benzonitrile
CID 71367381
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
phosphoroso 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoate
CID 121382191
N-methyl-1-[5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 54846542
1-[4-[5-[4-(7-methoxyheptoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone;1-[4-[2-(4-pentoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone;1-[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]phenyl]ethanone;1-[4-[5-(4-piperidin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 159551415
methyl 4-[3-oxo-3-(4-pentoxyphenyl)propanoyl]benzoate;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 158232322
3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
CID 10112327
5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole
CID 57498270
1,4-didodecylpiperazine;1,3-di(tetradecyl)imidazolidine;4-(4-dodecoxyphenyl)morpholine;4-(4-dodecoxyphenyl)thiomorpholine;1-(4-tridecoxyphenyl)piperidine
CID 158904514
(4-decoxyphenyl) 3-(4-decoxyphenyl)-1,2-oxazole-5-carboxylate
CID 102279891

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine (CID 122376206) is 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine is CCCCCCCCCCOc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)no2)cc1.
What is the InChIKey of 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine?
The InChIKey is LZJYBDOCRCQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O3/c1-2-3-4-5-6-7-8-9-20-33-27-16-12-25(13-17-27)29-23-28(30-34-29)24-10-14-26(15-11-24)31-18-21-32-22-19-31/h10-17,23H,2-9,18-22H2,1H3.
What are the key properties of 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine?
4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine has a molecular weight of 462.63 g/mol, XLogP of 7.36, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-decoxyphenyl)-1,2-oxazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 122376206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).