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

C17H17ClN6O3 — CID 75475242

IUPACN-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
SMILESCn1cc(-c2nc(C3COCCN3C(=O)Nc3ccc(Cl)cc3)no2)cn1
InChIInChI=1S/C17H17ClN6O3/c1-23-9-11(8-19-23)16-21-15(22-27-16)14-10-26-7-6-24(14)17(25)20-13-4-2-12(18)3-5-13/h2-5,8-9,14H,6-7,10H2,1H3,(H,20,25)
InChIKeyBIEWJRKRTGVERR-UHFFFAOYSA-N
MW388.82 g/mol
LogP2.73
Rot. Bonds3

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

N-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide (PubChem CID 75475242) has the molecular formula C17H17ClN6O3 and a molecular weight of 388.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
PubChem CID75475242
Molecular FormulaC17H17ClN6O3
Molecular Weight388.82 g/mol
Exact Mass388.11
IUPAC NameN-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
SMILESCn1cc(-c2nc(C3COCCN3C(=O)Nc3ccc(Cl)cc3)no2)cn1
InChIInChI=1S/C17H17ClN6O3/c1-23-9-11(8-19-23)16-21-15(22-27-16)14-10-26-7-6-24(14)17(25)20-13-4-2-12(18)3-5-13/h2-5,8-9,14H,6-7,10H2,1H3,(H,20,25)
InChIKeyBIEWJRKRTGVERR-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-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide (CID 75475242) is N-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide is Cn1cc(-c2nc(C3COCCN3C(=O)Nc3ccc(Cl)cc3)no2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The InChIKey is BIEWJRKRTGVERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3/c1-23-9-11(8-19-23)16-21-15(22-27-16)14-10-26-7-6-24(14)17(25)20-13-4-2-12(18)3-5-13/h2-5,8-9,14H,6-7,10H2,1H3,(H,20,25).
What are the key properties of N-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
N-(4-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-(4-chlorophenyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 75475242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).