5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol

C7H14N2O2 — CID 139457045

IUPAC5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol
SMILESCN1CCC2NC(O)OC2C1
InChIInChI=1S/C7H14N2O2/c1-9-3-2-5-6(4-9)11-7(10)8-5/h5-8,10H,2-4H2,1H3
InChIKeyXKJVMIQOGFSUSO-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.05
Rot. Bonds

About 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol

5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol (PubChem CID 139457045) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol.

Molecular Properties

Compound Name5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol
PubChem CID139457045
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol
SMILESCN1CCC2NC(O)OC2C1
InChIInChI=1S/C7H14N2O2/c1-9-3-2-5-6(4-9)11-7(10)8-5/h5-8,10H,2-4H2,1H3
InChIKeyXKJVMIQOGFSUSO-UHFFFAOYSA-N
XLogP-1.05
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol with MolForge

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Related Compounds

(1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 124845520
5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 118404444
4,7-dimethyl-1,4-diazepan-2-ol;ethane
CID 142873717
2,5-dimethyl-8-oxa-2,5-diazabicyclo[5.1.0]octane
CID 163573249
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
CID 89166355
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887
2-cyclopropyl-4-methylmorpholine
CID 121357634
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
4-iodo-1-methylpiperidin-3-ol
CID 134434558

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol?
The IUPAC name of 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol (CID 139457045) is 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol.
What is the SMILES notation for 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol?
The canonical SMILES for 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol is CN1CCC2NC(O)OC2C1.
What is the InChIKey of 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol?
The InChIKey is XKJVMIQOGFSUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9-3-2-5-6(4-9)11-7(10)8-5/h5-8,10H,2-4H2,1H3.
What are the key properties of 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol?
5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol has a molecular weight of 158.20 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3a,4,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-ol is sourced from PubChem (CID 139457045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).