N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide

C17H20N4O3 — CID 71938735

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H20N4O3/c22-17(18-10-15-19-16(20-24-15)13-6-7-13)21-8-9-23-14(11-21)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,22)
InChIKeyWGISOUUHTMPOEV-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.23
Rot. Bonds4

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide (PubChem CID 71938735) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide
PubChem CID71938735
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H20N4O3/c22-17(18-10-15-19-16(20-24-15)13-6-7-13)21-8-9-23-14(11-21)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,22)
InChIKeyWGISOUUHTMPOEV-UHFFFAOYSA-N
XLogP2.23
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide (CID 71938735) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide is O=C(NCc1nc(C2CC2)no1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The InChIKey is WGISOUUHTMPOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(18-10-15-19-16(20-24-15)13-6-7-13)21-8-9-23-14(11-21)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,22).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 71938735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).