2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

C19H15N3O2S — CID 95043478

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(-c2noc3ccccc23)s1
InChIInChI=1S/C19H15N3O2S/c23-18(20-11-10-13-6-2-1-3-7-13)16-12-21-19(25-16)17-14-8-4-5-9-15(14)24-22-17/h1-9,12H,10-11H2,(H,20,23)
InChIKeyHRAOXIPZIMLRCU-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.92
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 95043478) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID95043478
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc(-c2noc3ccccc23)s1
InChIInChI=1S/C19H15N3O2S/c23-18(20-11-10-13-6-2-1-3-7-13)16-12-21-19(25-16)17-14-8-4-5-9-15(14)24-22-17/h1-9,12H,10-11H2,(H,20,23)
InChIKeyHRAOXIPZIMLRCU-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (CID 95043478) is 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is O=C(NCCc1ccccc1)c1cnc(-c2noc3ccccc23)s1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HRAOXIPZIMLRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-18(20-11-10-13-6-2-1-3-7-13)16-12-21-19(25-16)17-14-8-4-5-9-15(14)24-22-17/h1-9,12H,10-11H2,(H,20,23).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95043478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).