4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol

C16H20N2O5S — CID 56904142

IUPAC4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol
SMILESO=S(=O)(c1ccc(-c2cnco2)cc1)N1CCCC(O)(CO)CC1
InChIInChI=1S/C16H20N2O5S/c19-11-16(20)6-1-8-18(9-7-16)24(21,22)14-4-2-13(3-5-14)15-10-17-12-23-15/h2-5,10,12,19-20H,1,6-9,11H2
InChIKeyMYXWTHMTPCGTND-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.24
Rot. Bonds4

About 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol

4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol (PubChem CID 56904142) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol
PubChem CID56904142
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol
SMILESO=S(=O)(c1ccc(-c2cnco2)cc1)N1CCCC(O)(CO)CC1
InChIInChI=1S/C16H20N2O5S/c19-11-16(20)6-1-8-18(9-7-16)24(21,22)14-4-2-13(3-5-14)15-10-17-12-23-15/h2-5,10,12,19-20H,1,6-9,11H2
InChIKeyMYXWTHMTPCGTND-UHFFFAOYSA-N
XLogP1.24
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-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

N-hydroxy-4-[1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylpiperidin-4-yl]butanamide
CID 57403166
1-(2,6-dichlorophenyl)sulfonyl-4-(hydroxymethyl)azepan-4-ol
CID 56908943
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
CID 164635553
3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224683
N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111428596
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 19258655
1-(benzenesulfonyl)-3-prop-2-ynylpiperidin-3-ol
CID 71662628
2-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53218491
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-(4-methoxyphenyl)sulfonylazepan-4-ol
CID 155991425

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol (CID 56904142) is 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol is O=S(=O)(c1ccc(-c2cnco2)cc1)N1CCCC(O)(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol?
The InChIKey is MYXWTHMTPCGTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c19-11-16(20)6-1-8-18(9-7-16)24(21,22)14-4-2-13(3-5-14)15-10-17-12-23-15/h2-5,10,12,19-20H,1,6-9,11H2.
What are the key properties of 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol?
4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol has a molecular weight of 352.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[4-(1,3-oxazol-5-yl)phenyl]sulfonylazepan-4-ol is sourced from PubChem (CID 56904142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).