N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

C15H21N3O4S — CID 102551896

IUPACN-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1(C)CC(c2cccs2)=NO1
InChIInChI=1S/C15H21N3O4S/c1-15(10-11(18-22-15)12-4-3-9-23-12)14(20)17-6-5-13(19)16-7-8-21-2/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWKMMRADXHFROHA-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.90
Rot. Bonds8

About N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide

N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (PubChem CID 102551896) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID102551896
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1(C)CC(c2cccs2)=NO1
InChIInChI=1S/C15H21N3O4S/c1-15(10-11(18-22-15)12-4-3-9-23-12)14(20)17-6-5-13(19)16-7-8-21-2/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWKMMRADXHFROHA-UHFFFAOYSA-N
XLogP0.90
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815768
(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815760
N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551812
(5R)-5-methyl-N-(3-pyrazol-1-ylpropyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815742
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551808
(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815757
(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
CID 97465804
(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
(5S)-5-methyl-N-(4-methyl-2-pyridinyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815777
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209
N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906303
2-[4-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 30126247

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (CID 102551896) is N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is COCCNC(=O)CCNC(=O)C1(C)CC(c2cccs2)=NO1.
What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is WKMMRADXHFROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(10-11(18-22-15)12-4-3-9-23-12)14(20)17-6-5-13(19)16-7-8-21-2/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 102551896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).