[3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

C14H27NO3 — CID 3370825

IUPAC[3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESCC(C)CC1OCC2(CO)COC(CC(C)C)N12
InChIInChI=1S/C14H27NO3/c1-10(2)5-12-15-13(6-11(3)4)18-9-14(15,7-16)8-17-12/h10-13,16H,5-9H2,1-4H3
InChIKeyWVIBOVJKLKXJBC-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.82
Rot. Bonds5

About [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

[3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 3370825) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.

Molecular Properties

Compound Name[3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID3370825
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESCC(C)CC1OCC2(CO)COC(CC(C)C)N12
InChIInChI=1S/C14H27NO3/c1-10(2)5-12-15-13(6-11(3)4)18-9-14(15,7-16)8-17-12/h10-13,16H,5-9H2,1-4H3
InChIKeyWVIBOVJKLKXJBC-UHFFFAOYSA-N
XLogP1.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The IUPAC name of [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (CID 3370825) is [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.
What is the SMILES notation for [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The canonical SMILES for [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is CC(C)CC1OCC2(CO)COC(CC(C)C)N12.
What is the InChIKey of [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is WVIBOVJKLKXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(2)5-12-15-13(6-11(3)4)18-9-14(15,7-16)8-17-12/h10-13,16H,5-9H2,1-4H3.
What are the key properties of [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol has a molecular weight of 257.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(2-methylpropyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 3370825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).