N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C13H17N3O2S — CID 50961689

IUPACN-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C(C)c2nccs2)no1
InChIInChI=1S/C13H17N3O2S/c1-8(2)11-7-10(15-18-11)13(17)16(4)9(3)12-14-5-6-19-12/h5-9H,1-4H3
InChIKeyPZLYSLYUSYNEOP-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.09
Rot. Bonds4

About N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 50961689) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID50961689
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C(C)c2nccs2)no1
InChIInChI=1S/C13H17N3O2S/c1-8(2)11-7-10(15-18-11)13(17)16(4)9(3)12-14-5-6-19-12/h5-9H,1-4H3
InChIKeyPZLYSLYUSYNEOP-UHFFFAOYSA-N
XLogP3.09
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 50961689) is N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)C(C)c2nccs2)no1.
What is the InChIKey of N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PZLYSLYUSYNEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8(2)11-7-10(15-18-11)13(17)16(4)9(3)12-14-5-6-19-12/h5-9H,1-4H3.
What are the key properties of N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50961689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).