N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

C15H13N3O2S — CID 16879564

IUPACN-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCc1cccnc1NC(=O)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C15H13N3O2S/c1-10-4-2-6-16-15(10)17-14(19)9-11-8-12(20-18-11)13-5-3-7-21-13/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyLMRQMVFQANUIAZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.29
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (PubChem CID 16879564) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
PubChem CID16879564
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCc1cccnc1NC(=O)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C15H13N3O2S/c1-10-4-2-6-16-15(10)17-14(19)9-11-8-12(20-18-11)13-5-3-7-21-13/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyLMRQMVFQANUIAZ-UHFFFAOYSA-N
XLogP3.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (CID 16879564) is N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is Cc1cccnc1NC(=O)Cc1cc(-c2cccs2)on1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LMRQMVFQANUIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-4-2-6-16-15(10)17-14(19)9-11-8-12(20-18-11)13-5-3-7-21-13/h2-8H,9H2,1H3,(H,16,17,19).
What are the key properties of N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide has a molecular weight of 299.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16879564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).