[4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol

C18H24N2O4 — CID 71388894

IUPAC[4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol
SMILESCCC1(CO)COC(c2ccc(C3=NC(CC)(CO)CO3)cc2)=N1
InChIInChI=1S/C18H24N2O4/c1-3-17(9-21)11-23-15(19-17)13-5-7-14(8-6-13)16-20-18(4-2,10-22)12-24-16/h5-8,21-22H,3-4,9-12H2,1-2H3
InChIKeyQMHIBGRXYSYRMD-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.52
Rot. Bonds6

About [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol

[4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol (PubChem CID 71388894) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol
PubChem CID71388894
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol
SMILESCCC1(CO)COC(c2ccc(C3=NC(CC)(CO)CO3)cc2)=N1
InChIInChI=1S/C18H24N2O4/c1-3-17(9-21)11-23-15(19-17)13-5-7-14(8-6-13)16-20-18(4-2,10-22)12-24-16/h5-8,21-22H,3-4,9-12H2,1-2H3
InChIKeyQMHIBGRXYSYRMD-UHFFFAOYSA-N
XLogP1.52
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
1,3-Bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzene
CID 395337
2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Decylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519401
Txnhzxwelnuonz-uhfffaoysa-
CID 2732888
(2-Phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 338264
((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394814
((4S,5S)-2-Biphenyl-4-yl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394838
((4S,5S)-2-p-Tolyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394879

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol?
The IUPAC name of [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol (CID 71388894) is [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol is CCC1(CO)COC(c2ccc(C3=NC(CC)(CO)CO3)cc2)=N1.
What is the InChIKey of [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol?
The InChIKey is QMHIBGRXYSYRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-17(9-21)11-23-15(19-17)13-5-7-14(8-6-13)16-20-18(4-2,10-22)12-24-16/h5-8,21-22H,3-4,9-12H2,1-2H3.
What are the key properties of [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol?
[4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol has a molecular weight of 332.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[4-[4-ethyl-4-(hydroxymethyl)-5H-1,3-oxazol-2-yl]phenyl]-5H-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 71388894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).