[(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol

C17H22ClN3O2 — CID 97307380

IUPAC[(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol
SMILESOC[C@@H]1CCCCC[C@H]1NCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H22ClN3O2/c18-14-8-6-12(7-9-14)17-21-20-16(23-17)10-19-15-5-3-1-2-4-13(15)11-22/h6-9,13,15,19,22H,1-5,10-11H2/t13-,15+/m0/s1
InChIKeyFAUXFXPQEFIXCY-DZGCQCFKSA-N
MW335.83 g/mol
LogP3.42
Rot. Bonds5

About [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol

[(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol (PubChem CID 97307380) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol
PubChem CID97307380
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name[(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol
SMILESOC[C@@H]1CCCCC[C@H]1NCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H22ClN3O2/c18-14-8-6-12(7-9-14)17-21-20-16(23-17)10-19-15-5-3-1-2-4-13(15)11-22/h6-9,13,15,19,22H,1-5,10-11H2/t13-,15+/m0/s1
InChIKeyFAUXFXPQEFIXCY-DZGCQCFKSA-N
XLogP3.42
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol with MolForge

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Related Compounds

[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol
CID 75457226
[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]cyclohexyl]methanol
CID 104934517
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclohexyl-1-cyclopentylthiourea
CID 8677784
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol
CID 103699678
[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 107166401
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
CID 43466953
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylazanium
CID 2497584
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenol;hydrochloride
CID 127026210

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol?
The IUPAC name of [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol (CID 97307380) is [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol?
The canonical SMILES for [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol is OC[C@@H]1CCCCC[C@H]1NCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol?
The InChIKey is FAUXFXPQEFIXCY-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-14-8-6-12(7-9-14)17-21-20-16(23-17)10-19-15-5-3-1-2-4-13(15)11-22/h6-9,13,15,19,22H,1-5,10-11H2/t13-,15+/m0/s1.
What are the key properties of [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol?
[(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol has a molecular weight of 335.83 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]cycloheptyl]methanol is sourced from PubChem (CID 97307380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).