(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane

C16H26N2O2 — CID 75367807

IUPAC(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
SMILESCC(C)CCO[C@H]1COCCN(Cc2ccccn2)C1
InChIInChI=1S/C16H26N2O2/c1-14(2)6-9-20-16-12-18(8-10-19-13-16)11-15-5-3-4-7-17-15/h3-5,7,14,16H,6,8-13H2,1-2H3/t16-/m1/s1
InChIKeyZQIJHOFEKOUDBW-MRXNPFEDSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds6

About (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane

(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane (PubChem CID 75367807) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
PubChem CID75367807
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
SMILESCC(C)CCO[C@H]1COCCN(Cc2ccccn2)C1
InChIInChI=1S/C16H26N2O2/c1-14(2)6-9-20-16-12-18(8-10-19-13-16)11-15-5-3-4-7-17-15/h3-5,7,14,16H,6,8-13H2,1-2H3/t16-/m1/s1
InChIKeyZQIJHOFEKOUDBW-MRXNPFEDSA-N
XLogP2.35
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 155983978
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
(6R)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125014235
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 127245807
4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
CID 79680850
(7R,8aS)-7-(2-methoxyethoxy)-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458306
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
(3aR,6aS)-2-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97452990
4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The IUPAC name of (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane (CID 75367807) is (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane is CC(C)CCO[C@H]1COCCN(Cc2ccccn2)C1.
What is the InChIKey of (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
The InChIKey is ZQIJHOFEKOUDBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(2)6-9-20-16-12-18(8-10-19-13-16)11-15-5-3-4-7-17-15/h3-5,7,14,16H,6,8-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane?
(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane has a molecular weight of 278.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 75367807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).