N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide

C17H17ClN6O3 — CID 75475241

IUPACN-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
SMILESCn1cc(-c2nc(C3COCCN3C(=O)Nc3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C17H17ClN6O3/c1-23-9-11(8-19-23)16-21-15(22-27-16)14-10-26-6-5-24(14)17(25)20-13-4-2-3-12(18)7-13/h2-4,7-9,14H,5-6,10H2,1H3,(H,20,25)
InChIKeyMYOKCBCTOCIVOV-UHFFFAOYSA-N
MW388.82 g/mol
LogP2.73
Rot. Bonds3

About N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide

N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide (PubChem CID 75475241) has the molecular formula C17H17ClN6O3 and a molecular weight of 388.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
PubChem CID75475241
Molecular FormulaC17H17ClN6O3
Molecular Weight388.82 g/mol
Exact Mass388.11
IUPAC NameN-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
SMILESCn1cc(-c2nc(C3COCCN3C(=O)Nc3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C17H17ClN6O3/c1-23-9-11(8-19-23)16-21-15(22-27-16)14-10-26-6-5-24(14)17(25)20-13-4-2-3-12(18)7-13/h2-4,7-9,14H,5-6,10H2,1H3,(H,20,25)
InChIKeyMYOKCBCTOCIVOV-UHFFFAOYSA-N
XLogP2.73
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide (CID 75475241) is N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide is Cn1cc(-c2nc(C3COCCN3C(=O)Nc3cccc(Cl)c3)no2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The InChIKey is MYOKCBCTOCIVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3/c1-23-9-11(8-19-23)16-21-15(22-27-16)14-10-26-6-5-24(14)17(25)20-13-4-2-3-12(18)7-13/h2-4,7-9,14H,5-6,10H2,1H3,(H,20,25).
What are the key properties of N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide has a molecular weight of 388.82 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 75475241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).