N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide

C17H24N6O4 — CID 127926168

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
SMILESCOCc1nc(C2COCCN2C(=O)Nc2ccnn2C(C)C2CC2)no1
InChIInChI=1S/C17H24N6O4/c1-11(12-3-4-12)23-14(5-6-18-23)19-17(24)22-7-8-26-9-13(22)16-20-15(10-25-2)27-21-16/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,19,24)
InChIKeyDKXZRAJCRNWHBT-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.99
Rot. Bonds6

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide (PubChem CID 127926168) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
PubChem CID127926168
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
SMILESCOCc1nc(C2COCCN2C(=O)Nc2ccnn2C(C)C2CC2)no1
InChIInChI=1S/C17H24N6O4/c1-11(12-3-4-12)23-14(5-6-18-23)19-17(24)22-7-8-26-9-13(22)16-20-15(10-25-2)27-21-16/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,19,24)
InChIKeyDKXZRAJCRNWHBT-UHFFFAOYSA-N
XLogP1.99
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide (CID 127926168) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide is COCc1nc(C2COCCN2C(=O)Nc2ccnn2C(C)C2CC2)no1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
The InChIKey is DKXZRAJCRNWHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-11(12-3-4-12)23-14(5-6-18-23)19-17(24)22-7-8-26-9-13(22)16-20-15(10-25-2)27-21-16/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 127926168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).