2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C15H21N3O4S — CID 122151426

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCOCCNC(=O)c1sc(-c2c(C)noc2C)nc1C
InChIInChI=1S/C15H21N3O4S/c1-9-12(11(3)22-18-9)15-17-10(2)13(23-15)14(19)16-5-6-21-8-7-20-4/h5-8H2,1-4H3,(H,16,19)
InChIKeySINBPVQHCZMXGH-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.12
Rot. Bonds8

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 122151426) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID122151426
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCOCCNC(=O)c1sc(-c2c(C)noc2C)nc1C
InChIInChI=1S/C15H21N3O4S/c1-9-12(11(3)22-18-9)15-17-10(2)13(23-15)14(19)16-5-6-21-8-7-20-4/h5-8H2,1-4H3,(H,16,19)
InChIKeySINBPVQHCZMXGH-UHFFFAOYSA-N
XLogP2.12
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 122151426) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is COCCOCCNC(=O)c1sc(-c2c(C)noc2C)nc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SINBPVQHCZMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-9-12(11(3)22-18-9)15-17-10(2)13(23-15)14(19)16-5-6-21-8-7-20-4/h5-8H2,1-4H3,(H,16,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122151426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).