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

C13H16N4O3S — CID 71462973

IUPACN-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(N3CCOCC3)o2)s1
InChIInChI=1S/C13H16N4O3S/c1-8-11(21-12(15-8)16-9(2)18)10-7-14-13(20-10)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyBJRPWPBNVLIDML-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.90
Rot. Bonds3

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

N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 71462973) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID71462973
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(N3CCOCC3)o2)s1
InChIInChI=1S/C13H16N4O3S/c1-8-11(21-12(15-8)16-9(2)18)10-7-14-13(20-10)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyBJRPWPBNVLIDML-UHFFFAOYSA-N
XLogP1.90
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 71462973) is N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(N3CCOCC3)o2)s1.
What is the InChIKey of N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BJRPWPBNVLIDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-11(21-12(15-8)16-9(2)18)10-7-14-13(20-10)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3,(H,15,16,18).
What are the key properties of N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71462973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).