4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide

C16H26N4O3 — CID 75534317

IUPAC4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide
SMILESCC(C)c1noc(CCC(=O)NCC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C16H26N4O3/c1-10(2)16-19-14(23-20-16)8-7-13(21)18-9-11-3-5-12(6-4-11)15(17)22/h10-12H,3-9H2,1-2H3,(H2,17,22)(H,18,21)
InChIKeyJLDIQEIALITWPQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.53
Rot. Bonds7

About 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide

4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide (PubChem CID 75534317) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide
PubChem CID75534317
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide
SMILESCC(C)c1noc(CCC(=O)NCC2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C16H26N4O3/c1-10(2)16-19-14(23-20-16)8-7-13(21)18-9-11-3-5-12(6-4-11)15(17)22/h10-12H,3-9H2,1-2H3,(H2,17,22)(H,18,21)
InChIKeyJLDIQEIALITWPQ-UHFFFAOYSA-N
XLogP1.53
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide (CID 75534317) is 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide is CC(C)c1noc(CCC(=O)NCC2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide?
The InChIKey is JLDIQEIALITWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(2)16-19-14(23-20-16)8-7-13(21)18-9-11-3-5-12(6-4-11)15(17)22/h10-12H,3-9H2,1-2H3,(H2,17,22)(H,18,21).
What are the key properties of 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide?
4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 75534317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).