(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol

C10H21NO2 — CID 130161382

IUPAC(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CCCOC(C)C1
InChIInChI=1S/C10H21NO2/c1-3-10(12)8-11-5-4-6-13-9(2)7-11/h9-10,12H,3-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyKFZCYMMSRQVNLH-QVDQXJPCSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds3

About (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol

(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol (PubChem CID 130161382) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
PubChem CID130161382
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CCCOC(C)C1
InChIInChI=1S/C10H21NO2/c1-3-10(12)8-11-5-4-6-13-9(2)7-11/h9-10,12H,3-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyKFZCYMMSRQVNLH-QVDQXJPCSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol with MolForge

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Related Compounds

4-(Morpholin-4-yl)butan-2-ol
CID 14555601
1,1,1-Trifluoro-3-(2-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 63901036
4-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butan-2-ol
CID 115665816
(2S)-1,1,1-trifluoro-3-[(2R)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 129371251
(2S)-1,1,1-trifluoro-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 129371252
(2R)-1,1,1-trifluoro-3-[(2R)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 129412709
(2R)-1,1,1-trifluoro-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 129412710
1-Fluoro-3-(2-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 130795615
1-Fluoro-3-(1,4-oxazepan-4-yl)propan-2-ol
CID 130993511
1-Fluoro-3-(3-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 131036457
1-Fluoro-3-(6-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 131062191
1-(2,2-Dimethyl-1,4-oxazepan-4-yl)-3-fluoropropan-2-ol
CID 131182193

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol?
The IUPAC name of (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol (CID 130161382) is (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol.
What is the SMILES notation for (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol?
The canonical SMILES for (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol is CC[C@@H](O)CN1CCCOC(C)C1.
What is the InChIKey of (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol?
The InChIKey is KFZCYMMSRQVNLH-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-10(12)8-11-5-4-6-13-9(2)7-11/h9-10,12H,3-8H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol?
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol is sourced from PubChem (CID 130161382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).