N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide

C13H15F2N3O2S — CID 138036974

IUPACN-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(CC(=O)NC(C)(C)c2cc(C(F)F)on2)s1
InChIInChI=1S/C13H15F2N3O2S/c1-7-6-16-11(21-7)5-10(19)17-13(2,3)9-4-8(12(14)15)20-18-9/h4,6,12H,5H2,1-3H3,(H,17,19)
InChIKeyVLOJMPJGODBVHM-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.97
Rot. Bonds5

About N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide

N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 138036974) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID138036974
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC NameN-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(CC(=O)NC(C)(C)c2cc(C(F)F)on2)s1
InChIInChI=1S/C13H15F2N3O2S/c1-7-6-16-11(21-7)5-10(19)17-13(2,3)9-4-8(12(14)15)20-18-9/h4,6,12H,5H2,1-3H3,(H,17,19)
InChIKeyVLOJMPJGODBVHM-UHFFFAOYSA-N
XLogP2.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 138036974) is N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(CC(=O)NC(C)(C)c2cc(C(F)F)on2)s1.
What is the InChIKey of N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VLOJMPJGODBVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-7-6-16-11(21-7)5-10(19)17-13(2,3)9-4-8(12(14)15)20-18-9/h4,6,12H,5H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 138036974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).