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

C17H23N3O4 — CID 3239645

IUPAC3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCCN3CCOCC3)C2)cc1
InChIInChI=1S/C17H23N3O4/c1-22-14-4-2-13(3-5-14)15-12-16(24-19-15)17(21)18-6-7-20-8-10-23-11-9-20/h2-5,16H,6-12H2,1H3,(H,18,21)
InChIKeyHEMZSSJKQWROBJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.64
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3239645) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3239645
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCCN3CCOCC3)C2)cc1
InChIInChI=1S/C17H23N3O4/c1-22-14-4-2-13(3-5-14)15-12-16(24-19-15)17(21)18-6-7-20-8-10-23-11-9-20/h2-5,16H,6-12H2,1H3,(H,18,21)
InChIKeyHEMZSSJKQWROBJ-UHFFFAOYSA-N
XLogP0.64
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3239645) is 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NCCN3CCOCC3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HEMZSSJKQWROBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-22-14-4-2-13(3-5-14)15-12-16(24-19-15)17(21)18-6-7-20-8-10-23-11-9-20/h2-5,16H,6-12H2,1H3,(H,18,21).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3239645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).