2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide

C19H21N3O2S — CID 66643590

IUPAC2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(CCc2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C19H21N3O2S/c1-3-11-20-19(23)16-12-21-17(25-16)10-9-15-13(2)24-22-18(15)14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,20,23)
InChIKeyYZSICZMRJYKUEK-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.03
Rot. Bonds7

About 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide

2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 66643590) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID66643590
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(CCc2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C19H21N3O2S/c1-3-11-20-19(23)16-12-21-17(25-16)10-9-15-13(2)24-22-18(15)14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,20,23)
InChIKeyYZSICZMRJYKUEK-UHFFFAOYSA-N
XLogP4.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide (CID 66643590) is 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(CCc2c(-c3ccccc3)noc2C)s1.
What is the InChIKey of 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is YZSICZMRJYKUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-11-20-19(23)16-12-21-17(25-16)10-9-15-13(2)24-22-18(15)14-7-5-4-6-8-14/h4-8,12H,3,9-11H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide?
2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66643590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).