N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine

C17H18N4O — CID 24938624

IUPACN-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1ccc2nc(-c3nnc(NC4CCCCC4)o3)ccc2c1
InChIInChI=1S/C17H18N4O/c1-2-7-13(8-3-1)18-17-21-20-16(22-17)15-11-10-12-6-4-5-9-14(12)19-15/h4-6,9-11,13H,1-3,7-8H2,(H,18,21)
InChIKeyKSFUBNHGXKVBOH-UHFFFAOYSA-N
MW294.36 g/mol
LogP4.03
Rot. Bonds3

About N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine

N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 24938624) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID24938624
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1ccc2nc(-c3nnc(NC4CCCCC4)o3)ccc2c1
InChIInChI=1S/C17H18N4O/c1-2-7-13(8-3-1)18-17-21-20-16(22-17)15-11-10-12-6-4-5-9-14(12)19-15/h4-6,9-11,13H,1-3,7-8H2,(H,18,21)
InChIKeyKSFUBNHGXKVBOH-UHFFFAOYSA-N
XLogP4.03
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine (CID 24938624) is N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine is c1ccc2nc(-c3nnc(NC4CCCCC4)o3)ccc2c1.
What is the InChIKey of N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is KSFUBNHGXKVBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-7-13(8-3-1)18-17-21-20-16(22-17)15-11-10-12-6-4-5-9-14(12)19-15/h4-6,9-11,13H,1-3,7-8H2,(H,18,21).
What are the key properties of N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine?
N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 294.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-quinolin-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 24938624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).