(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol

C19H26N4O2 — CID 99973552

IUPAC(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol
SMILESO[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CCN(C2CCCC2)C1
InChIInChI=1S/C19H26N4O2/c24-17-12-22(10-11-23(13-17)16-8-4-5-9-16)14-18-20-21-19(25-18)15-6-2-1-3-7-15/h1-3,6-7,16-17,24H,4-5,8-14H2/t17-/m0/s1
InChIKeyZVEIZQNWORUTSP-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.16
Rot. Bonds4

About (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol

(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol (PubChem CID 99973552) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol.

Molecular Properties

Compound Name(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol
PubChem CID99973552
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol
SMILESO[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CCN(C2CCCC2)C1
InChIInChI=1S/C19H26N4O2/c24-17-12-22(10-11-23(13-17)16-8-4-5-9-16)14-18-20-21-19(25-18)15-6-2-1-3-7-15/h1-3,6-7,16-17,24H,4-5,8-14H2/t17-/m0/s1
InChIKeyZVEIZQNWORUTSP-KRWDZBQOSA-N
XLogP2.16
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol?
The IUPAC name of (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol (CID 99973552) is (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol.
What is the SMILES notation for (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol?
The canonical SMILES for (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol is O[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CCN(C2CCCC2)C1.
What is the InChIKey of (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol?
The InChIKey is ZVEIZQNWORUTSP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-17-12-22(10-11-23(13-17)16-8-4-5-9-16)14-18-20-21-19(25-18)15-6-2-1-3-7-15/h1-3,6-7,16-17,24H,4-5,8-14H2/t17-/m0/s1.
What are the key properties of (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol?
(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol has a molecular weight of 342.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol is sourced from PubChem (CID 99973552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).