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

C13H17N3O2S — CID 56757167

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCCc1nc(CNC(=O)Cc2cc(C)no2)cs1
InChIInChI=1S/C13H17N3O2S/c1-3-4-13-15-10(8-19-13)7-14-12(17)6-11-5-9(2)16-18-11/h5,8H,3-4,6-7H2,1-2H3,(H,14,17)
InChIKeyCSZUQTRTQICMAC-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.25
Rot. Bonds6

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

2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 56757167) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID56757167
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCCc1nc(CNC(=O)Cc2cc(C)no2)cs1
InChIInChI=1S/C13H17N3O2S/c1-3-4-13-15-10(8-19-13)7-14-12(17)6-11-5-9(2)16-18-11/h5,8H,3-4,6-7H2,1-2H3,(H,14,17)
InChIKeyCSZUQTRTQICMAC-UHFFFAOYSA-N
XLogP2.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide (CID 56757167) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide is CCCc1nc(CNC(=O)Cc2cc(C)no2)cs1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is CSZUQTRTQICMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-4-13-15-10(8-19-13)7-14-12(17)6-11-5-9(2)16-18-11/h5,8H,3-4,6-7H2,1-2H3,(H,14,17).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 56757167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).