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

C17H21N3O3 — CID 71925676

IUPAC2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
SMILESCc1cc(CNC(=O)N2CC(C)OCC2c2ccccc2)no1
InChIInChI=1S/C17H21N3O3/c1-12-8-15(19-23-12)9-18-17(21)20-10-13(2)22-11-16(20)14-6-4-3-5-7-14/h3-8,13,16H,9-11H2,1-2H3,(H,18,21)
InChIKeyPRLGWJLDKICDAD-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.65
Rot. Bonds3

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

2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide (PubChem CID 71925676) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
PubChem CID71925676
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
SMILESCc1cc(CNC(=O)N2CC(C)OCC2c2ccccc2)no1
InChIInChI=1S/C17H21N3O3/c1-12-8-15(19-23-12)9-18-17(21)20-10-13(2)22-11-16(20)14-6-4-3-5-7-14/h3-8,13,16H,9-11H2,1-2H3,(H,18,21)
InChIKeyPRLGWJLDKICDAD-UHFFFAOYSA-N
XLogP2.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide (CID 71925676) is 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide is Cc1cc(CNC(=O)N2CC(C)OCC2c2ccccc2)no1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide?
The InChIKey is PRLGWJLDKICDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-8-15(19-23-12)9-18-17(21)20-10-13(2)22-11-16(20)14-6-4-3-5-7-14/h3-8,13,16H,9-11H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide?
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 71925676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).