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

C15H21N3O2S — CID 58297240

IUPAC2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)C)on2)s1
InChIInChI=1S/C15H21N3O2S/c1-9-16-8-11(21-9)15(5,6)10-7-12(20-18-10)17-13(19)14(2,3)4/h7-8H,1-6H3,(H,17,19)
InChIKeyWTJUCMJUFXGMNJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.75
Rot. Bonds3

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

2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide (PubChem CID 58297240) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
PubChem CID58297240
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)C)on2)s1
InChIInChI=1S/C15H21N3O2S/c1-9-16-8-11(21-9)15(5,6)10-7-12(20-18-10)17-13(19)14(2,3)4/h7-8H,1-6H3,(H,17,19)
InChIKeyWTJUCMJUFXGMNJ-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide (CID 58297240) is 2,2-dimethyl-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 2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide is Cc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)C)on2)s1.
What is the InChIKey of 2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The InChIKey is WTJUCMJUFXGMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9-16-8-11(21-9)15(5,6)10-7-12(20-18-10)17-13(19)14(2,3)4/h7-8H,1-6H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide has a molecular weight of 307.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 58297240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).