1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol

C19H18INO3 — CID 24800171

IUPAC1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol
SMILESOC(CCc1ccc(COc2ccccc2)cc1)c1ncc(I)o1
InChIInChI=1S/C19H18INO3/c20-18-12-21-19(24-18)17(22)11-10-14-6-8-15(9-7-14)13-23-16-4-2-1-3-5-16/h1-9,12,17,22H,10-11,13H2
InChIKeyBFYJQNTYYKTDOL-UHFFFAOYSA-N
MW435.26 g/mol
LogP4.52
Rot. Bonds7

About 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol

1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol (PubChem CID 24800171) has the molecular formula C19H18INO3 and a molecular weight of 435.26 g/mol. Its IUPAC name is 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol
PubChem CID24800171
Molecular FormulaC19H18INO3
Molecular Weight435.26 g/mol
Exact Mass435.03
IUPAC Name1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol
SMILESOC(CCc1ccc(COc2ccccc2)cc1)c1ncc(I)o1
InChIInChI=1S/C19H18INO3/c20-18-12-21-19(24-18)17(22)11-10-14-6-8-15(9-7-14)13-23-16-4-2-1-3-5-16/h1-9,12,17,22H,10-11,13H2
InChIKeyBFYJQNTYYKTDOL-UHFFFAOYSA-N
XLogP4.52
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-hydroxy-3-(4-phenoxyphenyl)propyl]-N-methyl-1,3-oxazole-5-carboxamide
CID 24799818
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol
CID 24799990
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
methyl 6-[2-[1-[tert-butyl(dimethyl)silyl]oxy-3-[4-(phenoxymethyl)phenyl]propyl]-1,3-oxazol-5-yl]pyridine-3-carboxylate
CID 24800166
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
(2S)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]-[2-(4-phenylmethoxyphenyl)ethyl]amino]-3-phenoxypropan-2-ol
CID 67905868
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
2-iodo-5-phenylmethoxypyrimidine
CID 153056979
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
4-(phenoxymethyl)aniline
CID 12712561

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol?
The IUPAC name of 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol (CID 24800171) is 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol is OC(CCc1ccc(COc2ccccc2)cc1)c1ncc(I)o1.
What is the InChIKey of 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol?
The InChIKey is BFYJQNTYYKTDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18INO3/c20-18-12-21-19(24-18)17(22)11-10-14-6-8-15(9-7-14)13-23-16-4-2-1-3-5-16/h1-9,12,17,22H,10-11,13H2.
What are the key properties of 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol?
1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol has a molecular weight of 435.26 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-1,3-oxazol-2-yl)-3-[4-(phenoxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 24800171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).