2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide

C11H17N3O3 — CID 30403029

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCOCC2)co1
InChIInChI=1S/C11H17N3O3/c1-9-13-10(8-17-9)11(15)12-2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyILXXHGPKHRWSHJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.05
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 30403029) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID30403029
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCOCC2)co1
InChIInChI=1S/C11H17N3O3/c1-9-13-10(8-17-9)11(15)12-2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyILXXHGPKHRWSHJ-UHFFFAOYSA-N
XLogP0.05
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide (CID 30403029) is 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCCN2CCOCC2)co1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ILXXHGPKHRWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9-13-10(8-17-9)11(15)12-2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 30403029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).