4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol

C10H16N2O3 — CID 81130244

IUPAC4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol
SMILESOC1(CNCc2cnco2)CCOCC1
InChIInChI=1S/C10H16N2O3/c13-10(1-3-14-4-2-10)7-11-5-9-6-12-8-15-9/h6,8,11,13H,1-5,7H2
InChIKeyCDHLCDQOLYUCTF-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.31
Rot. Bonds4

About 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol

4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol (PubChem CID 81130244) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol
PubChem CID81130244
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol
SMILESOC1(CNCc2cnco2)CCOCC1
InChIInChI=1S/C10H16N2O3/c13-10(1-3-14-4-2-10)7-11-5-9-6-12-8-15-9/h6,8,11,13H,1-5,7H2
InChIKeyCDHLCDQOLYUCTF-UHFFFAOYSA-N
XLogP0.31
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
CID 78929055
4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
CID 78928712
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
4-[[(2,3,6-trichlorophenyl)methylamino]methyl]oxan-4-ol
CID 78928713
4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol
CID 78928753
4-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 79832590
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81130976
4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol
CID 107911775

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol (CID 81130244) is 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol is OC1(CNCc2cnco2)CCOCC1.
What is the InChIKey of 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol?
The InChIKey is CDHLCDQOLYUCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-10(1-3-14-4-2-10)7-11-5-9-6-12-8-15-9/h6,8,11,13H,1-5,7H2.
What are the key properties of 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol?
4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol has a molecular weight of 212.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-oxazol-5-ylmethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).