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

C18H17N3O3S — CID 18136368

IUPACN-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H17N3O3S/c22-18(15-12-16(24-20-15)17-2-1-11-25-17)19-13-3-5-14(6-4-13)21-7-9-23-10-8-21/h1-6,11-12H,7-10H2,(H,19,22)
InChIKeyGJPQWWBRHBXVGJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.49
Rot. Bonds4

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

N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 18136368) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID18136368
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H17N3O3S/c22-18(15-12-16(24-20-15)17-2-1-11-25-17)19-13-3-5-14(6-4-13)21-7-9-23-10-8-21/h1-6,11-12H,7-10H2,(H,19,22)
InChIKeyGJPQWWBRHBXVGJ-UHFFFAOYSA-N
XLogP3.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 56557476
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 20899204
5-(furan-2-yl)-N-(3-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 110618704
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122357285

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 18136368) is N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is GJPQWWBRHBXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-18(15-12-16(24-20-15)17-2-1-11-25-17)19-13-3-5-14(6-4-13)21-7-9-23-10-8-21/h1-6,11-12H,7-10H2,(H,19,22).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 18136368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).