N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C20H21N3O3S — CID 45132972

IUPACN-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CN1CCOCC1)c1ccccc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C20H21N3O3S/c24-20(16-13-18(26-22-16)19-7-4-12-27-19)21-17(15-5-2-1-3-6-15)14-23-8-10-25-11-9-23/h1-7,12-13,17H,8-11,14H2,(H,21,24)
InChIKeyAFOBZZLCVCHYSV-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.21
Rot. Bonds6

About N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 45132972) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID45132972
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NC(CN1CCOCC1)c1ccccc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C20H21N3O3S/c24-20(16-13-18(26-22-16)19-7-4-12-27-19)21-17(15-5-2-1-3-6-15)14-23-8-10-25-11-9-23/h1-7,12-13,17H,8-11,14H2,(H,21,24)
InChIKeyAFOBZZLCVCHYSV-UHFFFAOYSA-N
XLogP3.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-phenyl(thiophen-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 92574304
2-(2-aminoethyl)-N-(2-morpholin-4-yl-1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 120640463
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9150618
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 50754305
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 20899204
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18136368

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 45132972) is N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NC(CN1CCOCC1)c1ccccc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is AFOBZZLCVCHYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-20(16-13-18(26-22-16)19-7-4-12-27-19)21-17(15-5-2-1-3-6-15)14-23-8-10-25-11-9-23/h1-7,12-13,17H,8-11,14H2,(H,21,24).
What are the key properties of N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45132972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).