N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C17H16N4O2S — CID 122152165

IUPACN-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCc1cnc(C2CC2)o1
InChIInChI=1S/C17H16N4O2S/c22-15(19-8-13-9-20-16(23-13)11-4-5-11)7-12-10-24-17(21-12)14-3-1-2-6-18-14/h1-3,6,9-11H,4-5,7-8H2,(H,19,22)
InChIKeyZMICORHMIROSBP-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.93
Rot. Bonds6

About N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 122152165) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID122152165
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCc1cnc(C2CC2)o1
InChIInChI=1S/C17H16N4O2S/c22-15(19-8-13-9-20-16(23-13)11-4-5-11)7-12-10-24-17(21-12)14-3-1-2-6-18-14/h1-3,6,9-11H,4-5,7-8H2,(H,19,22)
InChIKeyZMICORHMIROSBP-UHFFFAOYSA-N
XLogP2.93
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 122152165) is N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)NCc1cnc(C2CC2)o1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZMICORHMIROSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-15(19-8-13-9-20-16(23-13)11-4-5-11)7-12-10-24-17(21-12)14-3-1-2-6-18-14/h1-3,6,9-11H,4-5,7-8H2,(H,19,22).
What are the key properties of N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 122152165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).