3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C18H26N4O2S — CID 26390541

IUPAC3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CNC(=O)CCc2nnc(C3CCCCC3)o2)cs1
InChIInChI=1S/C18H26N4O2S/c1-12(2)18-20-14(11-25-18)10-19-15(23)8-9-16-21-22-17(24-16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,19,23)
InChIKeyQXLZBNHGKIBTJD-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.95
Rot. Bonds7

About 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 26390541) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID26390541
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CNC(=O)CCc2nnc(C3CCCCC3)o2)cs1
InChIInChI=1S/C18H26N4O2S/c1-12(2)18-20-14(11-25-18)10-19-15(23)8-9-16-21-22-17(24-16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,19,23)
InChIKeyQXLZBNHGKIBTJD-UHFFFAOYSA-N
XLogP3.95
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 26390541) is 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(C)c1nc(CNC(=O)CCc2nnc(C3CCCCC3)o2)cs1.
What is the InChIKey of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is QXLZBNHGKIBTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-12(2)18-20-14(11-25-18)10-19-15(23)8-9-16-21-22-17(24-16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,19,23).
What are the key properties of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 362.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 26390541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).