2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole

C22H24N2O4 — CID 101158945

IUPAC2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)ccc1OCCCCOc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C22H24N2O4/c1(13-25-19-7-3-17(4-8-19)21-23-11-15-27-21)2-14-26-20-9-5-18(6-10-20)22-24-12-16-28-22/h3-10H,1-2,11-16H2
InChIKeyIMTBIODDYZAOSU-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.48
Rot. Bonds9

About 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole

2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101158945) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID101158945
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)ccc1OCCCCOc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C22H24N2O4/c1(13-25-19-7-3-17(4-8-19)21-23-11-15-27-21)2-14-26-20-9-5-18(6-10-20)22-24-12-16-28-22/h3-10H,1-2,11-16H2
InChIKeyIMTBIODDYZAOSU-UHFFFAOYSA-N
XLogP3.48
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-bromobut-2-enoxy)phenyl]-4,5-dihydro-1,3-oxazole
CID 54407903
2-[4-[3,5-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 139743389
3-[5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-1,2-oxazol-3-yl]-3-hydroxypropanoic acid
CID 57215681
4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenol
CID 136740069
2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519397
ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate
CID 14989203
2-[4-(4-dodecoxyphenyl)phenyl]-5-ethyl-4,5-dihydro-1,3-oxazole
CID 67920084
5-[5-[3-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
CID 5271220
3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-methylbutanoic acid
CID 117370356
2-[4-[5-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)phenoxy]pentoxy]phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 127041641
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole (CID 101158945) is 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole is c1cc(C2=NCCO2)ccc1OCCCCOc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IMTBIODDYZAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1(13-25-19-7-3-17(4-8-19)21-23-11-15-27-21)2-14-26-20-9-5-18(6-10-20)22-24-12-16-28-22/h3-10H,1-2,11-16H2.
What are the key properties of 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 380.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101158945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).