(4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol

C14H26N4O2 — CID 97195500

IUPAC(4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol
SMILESCCCc1nnc(N2CCC[C@@](O)(CN(C)C)CC2)o1
InChIInChI=1S/C14H26N4O2/c1-4-6-12-15-16-13(20-12)18-9-5-7-14(19,8-10-18)11-17(2)3/h19H,4-11H2,1-3H3/t14-/m0/s1
InChIKeyWVOPILKFDGCXKD-AWEZNQCLSA-N
MW282.39 g/mol
LogP1.31
Rot. Bonds5

About (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol

(4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol (PubChem CID 97195500) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol.

Molecular Properties

Compound Name(4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol
PubChem CID97195500
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name(4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol
SMILESCCCc1nnc(N2CCC[C@@](O)(CN(C)C)CC2)o1
InChIInChI=1S/C14H26N4O2/c1-4-6-12-15-16-13(20-12)18-9-5-7-14(19,8-10-18)11-17(2)3/h19H,4-11H2,1-3H3/t14-/m0/s1
InChIKeyWVOPILKFDGCXKD-AWEZNQCLSA-N
XLogP1.31
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol?
The IUPAC name of (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol (CID 97195500) is (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol.
What is the SMILES notation for (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol?
The canonical SMILES for (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol is CCCc1nnc(N2CCC[C@@](O)(CN(C)C)CC2)o1.
What is the InChIKey of (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol?
The InChIKey is WVOPILKFDGCXKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-6-12-15-16-13(20-12)18-9-5-7-14(19,8-10-18)11-17(2)3/h19H,4-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol?
(4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol has a molecular weight of 282.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol is sourced from PubChem (CID 97195500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).