[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol

C9H13NO3 — CID 115016406

IUPAC[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol
SMILESOCc1ncc(C2CCOCC2)o1
InChIInChI=1S/C9H13NO3/c11-6-9-10-5-8(13-9)7-1-3-12-4-2-7/h5,7,11H,1-4,6H2
InChIKeyHCHXMFWAJJSHHR-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.06
Rot. Bonds2

About [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol

[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol (PubChem CID 115016406) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol
PubChem CID115016406
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol
SMILESOCc1ncc(C2CCOCC2)o1
InChIInChI=1S/C9H13NO3/c11-6-9-10-5-8(13-9)7-1-3-12-4-2-7/h5,7,11H,1-4,6H2
InChIKeyHCHXMFWAJJSHHR-UHFFFAOYSA-N
XLogP1.06
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-piperidin-4-yl-1,3-oxazol-2-yl)methanol
CID 115016152
2-methyl-N-[3-[5-(oxan-4-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184626
[6-(oxan-4-yl)-3-pyridinyl]methanol
CID 177179398
3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
CID 115034079
[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol
CID 115085348
tert-butyl 4-[2-(hydroxymethyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 115051908
2-(azetidin-3-yl)-5-(oxan-4-yl)-1,3-oxazole
CID 115025820
2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol
CID 115045575
3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
CID 115042041
2-(1-chloroethyl)-5-(oxan-4-yl)-1,3-oxazole
CID 65180223
2-[4-[methyl-[[5-(oxan-4-yl)-1,3-oxazol-2-yl]methyl]amino]phenoxy]acetic acid
CID 167838796
2-(methylsulfonylmethyl)-N-[[5-(oxan-4-yl)-1,3-oxazol-2-yl]methyl]aniline
CID 167910424

Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol?
The IUPAC name of [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol (CID 115016406) is [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol is OCc1ncc(C2CCOCC2)o1.
What is the InChIKey of [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol?
The InChIKey is HCHXMFWAJJSHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-6-9-10-5-8(13-9)7-1-3-12-4-2-7/h5,7,11H,1-4,6H2.
What are the key properties of [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol?
[5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol has a molecular weight of 183.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 115016406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).