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

C13H17N3O2S — CID 71244456

IUPACN-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)c2cnc(C)s2)no1
InChIInChI=1S/C13H17N3O2S/c1-5-11(17)15-12-6-9(16-18-12)13(3,4)10-7-14-8(2)19-10/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyLAKMYGDXMFVPAN-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.11
Rot. Bonds4

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

N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide (PubChem CID 71244456) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
PubChem CID71244456
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)c2cnc(C)s2)no1
InChIInChI=1S/C13H17N3O2S/c1-5-11(17)15-12-6-9(16-18-12)13(3,4)10-7-14-8(2)19-10/h6-7H,5H2,1-4H3,(H,15,17)
InChIKeyLAKMYGDXMFVPAN-UHFFFAOYSA-N
XLogP3.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The IUPAC name of N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide (CID 71244456) is N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide is CCC(=O)Nc1cc(C(C)(C)c2cnc(C)s2)no1.
What is the InChIKey of N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The InChIKey is LAKMYGDXMFVPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-5-11(17)15-12-6-9(16-18-12)13(3,4)10-7-14-8(2)19-10/h6-7H,5H2,1-4H3,(H,15,17).
What are the key properties of N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide has a molecular weight of 279.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 71244456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).