[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

C18H23N3O4S — CID 47011704

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCC(OC(=O)CCc1nc(-c2ccsc2)no1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O4S/c1-12(18(23)19-14-5-3-2-4-6-14)24-16(22)8-7-15-20-17(21-25-15)13-9-10-26-11-13/h9-12,14H,2-8H2,1H3,(H,19,23)
InChIKeyIYFDZEUIUIZZMJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.11
Rot. Bonds7

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 47011704) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID47011704
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESCC(OC(=O)CCc1nc(-c2ccsc2)no1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O4S/c1-12(18(23)19-14-5-3-2-4-6-14)24-16(22)8-7-15-20-17(21-25-15)13-9-10-26-11-13/h9-12,14H,2-8H2,1H3,(H,19,23)
InChIKeyIYFDZEUIUIZZMJ-UHFFFAOYSA-N
XLogP3.11
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 47011704) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate is CC(OC(=O)CCc1nc(-c2ccsc2)no1)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is IYFDZEUIUIZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12(18(23)19-14-5-3-2-4-6-14)24-16(22)8-7-15-20-17(21-25-15)13-9-10-26-11-13/h9-12,14H,2-8H2,1H3,(H,19,23).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 377.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 47011704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).