(4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one

C20H28N4O2 — CID 59059333

IUPAC(4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one
SMILESCC(=O)C[C@@H](CCCC1CCCCC1)c1nc(-c2ccc(N)nc2)no1
InChIInChI=1S/C20H28N4O2/c1-14(25)12-16(9-5-8-15-6-3-2-4-7-15)20-23-19(24-26-20)17-10-11-18(21)22-13-17/h10-11,13,15-16H,2-9,12H2,1H3,(H2,21,22)/t16-/m1/s1
InChIKeyCQTMCSPPUCBSFK-MRXNPFEDSA-N
MW356.47 g/mol
LogP4.53
Rot. Bonds8

About (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one

(4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one (PubChem CID 59059333) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one
PubChem CID59059333
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one
SMILESCC(=O)C[C@@H](CCCC1CCCCC1)c1nc(-c2ccc(N)nc2)no1
InChIInChI=1S/C20H28N4O2/c1-14(25)12-16(9-5-8-15-6-3-2-4-7-15)20-23-19(24-26-20)17-10-11-18(21)22-13-17/h10-11,13,15-16H,2-9,12H2,1H3,(H2,21,22)/t16-/m1/s1
InChIKeyCQTMCSPPUCBSFK-MRXNPFEDSA-N
XLogP4.53
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one?
The IUPAC name of (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one (CID 59059333) is (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one.
What is the SMILES notation for (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one?
The canonical SMILES for (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one is CC(=O)C[C@@H](CCCC1CCCCC1)c1nc(-c2ccc(N)nc2)no1.
What is the InChIKey of (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one?
The InChIKey is CQTMCSPPUCBSFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(25)12-16(9-5-8-15-6-3-2-4-7-15)20-23-19(24-26-20)17-10-11-18(21)22-13-17/h10-11,13,15-16H,2-9,12H2,1H3,(H2,21,22)/t16-/m1/s1.
What are the key properties of (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one?
(4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one has a molecular weight of 356.47 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one is sourced from PubChem (CID 59059333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).