2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide

C12H19N3O3 — CID 53195158

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCOCC2)c(C)o1
InChIInChI=1S/C12H19N3O3/c1-9-11(14-10(2)18-9)12(16)13-3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,16)
InChIKeyOFUIGZMKRAPBQE-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.35
Rot. Bonds4

About 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 53195158) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID53195158
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCN2CCOCC2)c(C)o1
InChIInChI=1S/C12H19N3O3/c1-9-11(14-10(2)18-9)12(16)13-3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,16)
InChIKeyOFUIGZMKRAPBQE-UHFFFAOYSA-N
XLogP0.35
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide (CID 53195158) is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCCN2CCOCC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OFUIGZMKRAPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-11(14-10(2)18-9)12(16)13-3-4-15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,16).
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).