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

C16H19N3O3 — CID 100772105

IUPACN-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1conc1-c1ccccc1
InChIInChI=1S/C16H19N3O3/c20-16(17-6-7-19-8-10-21-11-9-19)14-12-22-18-15(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,20)
InChIKeyNXRNNIBIMAXBLK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.40
Rot. Bonds5

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

N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 100772105) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID100772105
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1conc1-c1ccccc1
InChIInChI=1S/C16H19N3O3/c20-16(17-6-7-19-8-10-21-11-9-19)14-12-22-18-15(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,20)
InChIKeyNXRNNIBIMAXBLK-UHFFFAOYSA-N
XLogP1.40
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 100772105) is N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide is O=C(NCCN1CCOCC1)c1conc1-c1ccccc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is NXRNNIBIMAXBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(17-6-7-19-8-10-21-11-9-19)14-12-22-18-15(14)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100772105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).