11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol

C29H46N2O4 — CID 101253717

IUPAC11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol
SMILESCC(C)[C@@H]1COC(c2cc(OCCCCCCCCCCCO)cc(C3=N[C@H](C(C)C)CO3)c2)=N1
InChIInChI=1S/C29H46N2O4/c1-21(2)26-19-34-28(30-26)23-16-24(29-31-27(20-35-29)22(3)4)18-25(17-23)33-15-13-11-9-7-5-6-8-10-12-14-32/h16-18,21-22,26-27,32H,5-15,19-20H2,1-4H3/t26-,27-/m0/s1
InChIKeyLGUXRCMPLVLDOA-SVBPBHIXSA-N
MW486.70 g/mol
LogP6.17
Rot. Bonds16

About 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol

11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol (PubChem CID 101253717) has the molecular formula C29H46N2O4 and a molecular weight of 486.70 g/mol. Its IUPAC name is 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol.

Molecular Properties

Compound Name11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol
PubChem CID101253717
Molecular FormulaC29H46N2O4
Molecular Weight486.70 g/mol
Exact Mass486.35
IUPAC Name11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol
SMILESCC(C)[C@@H]1COC(c2cc(OCCCCCCCCCCCO)cc(C3=N[C@H](C(C)C)CO3)c2)=N1
InChIInChI=1S/C29H46N2O4/c1-21(2)26-19-34-28(30-26)23-16-24(29-31-27(20-35-29)22(3)4)18-25(17-23)33-15-13-11-9-7-5-6-8-10-12-14-32/h16-18,21-22,26-27,32H,5-15,19-20H2,1-4H3/t26-,27-/m0/s1
InChIKeyLGUXRCMPLVLDOA-SVBPBHIXSA-N
XLogP6.17
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136694445
(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
CID 127262930
dichlororhodium(1+);(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-5-id-1-yl]-4,5-dihydro-1,3-oxazole;hydrate
CID 15974907
2,5-bis[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 11015736
(4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole
CID 54215108
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 175669898
4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 54342974
2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 175146298
(4S)-2-[3-[2-isocyano-3-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102374903
CID 10905633
CID 10905633
[4-[(4S)-4-[(2S)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-3-hydroxyphenyl] 4-(4-decoxyphenyl)benzoate
CID 136694534
trimethyl-[4-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pyrazol-1-yl]silane
CID 90255589

Frequently Asked Questions

What is the IUPAC name of 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol?
The IUPAC name of 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol (CID 101253717) is 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol.
What is the SMILES notation for 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol?
The canonical SMILES for 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol is CC(C)[C@@H]1COC(c2cc(OCCCCCCCCCCCO)cc(C3=N[C@H](C(C)C)CO3)c2)=N1.
What is the InChIKey of 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol?
The InChIKey is LGUXRCMPLVLDOA-SVBPBHIXSA-N. The full InChI is InChI=1S/C29H46N2O4/c1-21(2)26-19-34-28(30-26)23-16-24(29-31-27(20-35-29)22(3)4)18-25(17-23)33-15-13-11-9-7-5-6-8-10-12-14-32/h16-18,21-22,26-27,32H,5-15,19-20H2,1-4H3/t26-,27-/m0/s1.
What are the key properties of 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol?
11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol has a molecular weight of 486.70 g/mol, XLogP of 6.17, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol is sourced from PubChem (CID 101253717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).