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

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

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

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-5-yl)-1,2-benzoxazole-3-carboxamide
CID 168288974
5-phenyl-N-[3-(1,3-thiazole-2-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167609
US11306078, Example 1.02
CID 141748967
4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 23644829
4-[2-(1,2-benzoxazol-3-yl)ethyl]-N-(4-tert-butylphenyl)-1,3-thiazole-5-carboxamide
CID 23644834
(S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thiazol-2-yl)pyrrolidin-1-yl)-1-cyclohexyl-2-oxoethyl)-2-(methylamino)propanamide
CID 46884477
N-(2-pyrrolidin-1-ylethyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
CID 97407388
N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
CID 97407390
Pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone
CID 97446559
N-cyclopropyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446624
N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446643
N-[2-(dimethylamino)ethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
CID 97526354

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).