(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane

C21H35N3O4 — CID 142148177

IUPAC(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
SMILESCC.O=C(O)CC(CCCC1CCCCC1)c1nc(CNC(=O)C2CC2)no1
InChIInChI=1S/C19H29N3O4.C2H6/c23-17(24)11-15(8-4-7-13-5-2-1-3-6-13)19-21-16(22-26-19)12-20-18(25)14-9-10-14;1-2/h13-15H,1-12H2,(H,20,25)(H,23,24);1-2H3
InChIKeyZXFKIYMMXVUEGZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.43
Rot. Bonds10

About (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane

(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane (PubChem CID 142148177) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
PubChem CID142148177
Molecular FormulaC21H35N3O4
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC Name(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
SMILESCC.O=C(O)CC(CCCC1CCCCC1)c1nc(CNC(=O)C2CC2)no1
InChIInChI=1S/C19H29N3O4.C2H6/c23-17(24)11-15(8-4-7-13-5-2-1-3-6-13)19-21-16(22-26-19)12-20-18(25)14-9-10-14;1-2/h13-15H,1-12H2,(H,20,25)(H,23,24);1-2H3
InChIKeyZXFKIYMMXVUEGZ-UHFFFAOYSA-N
XLogP4.43
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane (CID 142148177) is (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane is CC.O=C(O)CC(CCCC1CCCCC1)c1nc(CNC(=O)C2CC2)no1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane?
The InChIKey is ZXFKIYMMXVUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4.C2H6/c23-17(24)11-15(8-4-7-13-5-2-1-3-6-13)19-21-16(22-26-19)12-20-18(25)14-9-10-14;1-2/h13-15H,1-12H2,(H,20,25)(H,23,24);1-2H3.
What are the key properties of (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane?
(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane has a molecular weight of 393.53 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane is sourced from PubChem (CID 142148177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).