5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

C18H28N4O3S — CID 145040530

IUPAC5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(SCCN2CCOCC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C18H28N4O3S/c23-18(16-13-17(25-20-16)14-1-2-14)19-15-3-5-22(6-4-15)26-12-9-21-7-10-24-11-8-21/h13-15H,1-12H2,(H,19,23)
InChIKeyUTZHOIVPIQHYSG-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.73
Rot. Bonds7

About 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 145040530) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID145040530
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(SCCN2CCOCC2)CC1)c1cc(C2CC2)on1
InChIInChI=1S/C18H28N4O3S/c23-18(16-13-17(25-20-16)14-1-2-14)19-15-3-5-22(6-4-15)26-12-9-21-7-10-24-11-8-21/h13-15H,1-12H2,(H,19,23)
InChIKeyUTZHOIVPIQHYSG-UHFFFAOYSA-N
XLogP1.73
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040477
5-cyclopropyl-N-[9-(3-morpholin-4-ylpropylsulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-3-carboxamide
CID 153455640
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
5-cyclopropyl-N-[(3R,4S)-4-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386576
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369393
5-cyclopropyl-N-[(1S,5R)-8-[[4-(2-pyrrolidin-1-ylethylamino)piperidin-1-yl]sulfonylmethyl]-3-bicyclo[3.2.1]octanyl]-1,2-oxazole-3-carboxamide
CID 146426797
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386679
5-cyclopropyl-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1,2-oxazole-3-carboxamide
CID 95129634
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
5-cyclopropyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040372

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 145040530) is 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCN(SCCN2CCOCC2)CC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is UTZHOIVPIQHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c23-18(16-13-17(25-20-16)14-1-2-14)19-15-3-5-22(6-4-15)26-12-9-21-7-10-24-11-8-21/h13-15H,1-12H2,(H,19,23).
What are the key properties of 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2-morpholin-4-ylethylsulfanyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145040530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).