(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid

C18H24N4O3 — CID 135712717

IUPAC(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESO=C(O)C[C@H](CCCC1CCCCC1)c1nc(-c2cncnc2)no1
InChIInChI=1S/C18H24N4O3/c23-16(24)9-14(8-4-7-13-5-2-1-3-6-13)18-21-17(22-25-18)15-10-19-12-20-11-15/h10-14H,1-9H2,(H,23,24)/t14-/m0/s1
InChIKeyQLVKNVQGSBZDHY-AWEZNQCLSA-N
MW344.42 g/mol
LogP3.84
Rot. Bonds8

About (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid

(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid (PubChem CID 135712717) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
PubChem CID135712717
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESO=C(O)C[C@H](CCCC1CCCCC1)c1nc(-c2cncnc2)no1
InChIInChI=1S/C18H24N4O3/c23-16(24)9-14(8-4-7-13-5-2-1-3-6-13)18-21-17(22-25-18)15-10-19-12-20-11-15/h10-14H,1-9H2,(H,23,24)/t14-/m0/s1
InChIKeyQLVKNVQGSBZDHY-AWEZNQCLSA-N
XLogP3.84
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The IUPAC name of (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid (CID 135712717) is (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid.
What is the SMILES notation for (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The canonical SMILES for (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid is O=C(O)C[C@H](CCCC1CCCCC1)c1nc(-c2cncnc2)no1.
What is the InChIKey of (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The InChIKey is QLVKNVQGSBZDHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-16(24)9-14(8-4-7-13-5-2-1-3-6-13)18-21-17(22-25-18)15-10-19-12-20-11-15/h10-14H,1-9H2,(H,23,24)/t14-/m0/s1.
What are the key properties of (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid has a molecular weight of 344.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid is sourced from PubChem (CID 135712717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).