(3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol

C20H31NO3 — CID 69302465

IUPAC(3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol
SMILESCC[C@@H](O)CCCCCCCOC[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C20H31NO3/c1-2-19(22)13-9-4-3-5-10-14-23-15-18-16-24-20(21-18)17-11-7-6-8-12-17/h6-8,11-12,18-19,22H,2-5,9-10,13-16H2,1H3/t18-,19-/m1/s1
InChIKeyXDBWFCFOFFHGRK-RTBURBONSA-N
MW333.47 g/mol
LogP3.96
Rot. Bonds12

About (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol

(3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol (PubChem CID 69302465) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol.

Molecular Properties

Compound Name(3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol
PubChem CID69302465
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name(3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol
SMILESCC[C@@H](O)CCCCCCCOC[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C20H31NO3/c1-2-19(22)13-9-4-3-5-10-14-23-15-18-16-24-20(21-18)17-11-7-6-8-12-17/h6-8,11-12,18-19,22H,2-5,9-10,13-16H2,1H3/t18-,19-/m1/s1
InChIKeyXDBWFCFOFFHGRK-RTBURBONSA-N
XLogP3.96
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol with MolForge

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Related Compounds

4-(decoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 142009009
(4R)-4-(octadecoxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 10025678
sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol
CID 159317676
N-[1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-yl]acetamide
CID 59968039
1-[(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methoxy]decan-3-yl dodecanoate
CID 72533442
[(3R)-3-heptylhexadecoxy]methanethiol;(4R)-4-[[(3R)-3-heptylhexadecoxy]methyl]-2-phenyl-4,5-dihydro-1,3-oxazole;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 158477780
(1S,2S)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecane-1,2-diol
CID 59097365
(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 66998047
(4R)-4-(ethoxymethyl)-2-[2-[2-[(4R)-4-(ethoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101144353
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(E,1R)-1-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)hexadec-2-en-1-ol
CID 134881393

Frequently Asked Questions

What is the IUPAC name of (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol?
The IUPAC name of (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol (CID 69302465) is (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol.
What is the SMILES notation for (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol?
The canonical SMILES for (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol is CC[C@@H](O)CCCCCCCOC[C@@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol?
The InChIKey is XDBWFCFOFFHGRK-RTBURBONSA-N. The full InChI is InChI=1S/C20H31NO3/c1-2-19(22)13-9-4-3-5-10-14-23-15-18-16-24-20(21-18)17-11-7-6-8-12-17/h6-8,11-12,18-19,22H,2-5,9-10,13-16H2,1H3/t18-,19-/m1/s1.
What are the key properties of (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol?
(3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol has a molecular weight of 333.47 g/mol, XLogP of 3.96, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-10-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol is sourced from PubChem (CID 69302465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).