N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C17H12N4O3S — CID 134019864

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H12N4O3S/c22-15(19-11-3-4-14-13(6-11)21-17(23)24-14)7-12-9-25-16(20-12)10-2-1-5-18-8-10/h1-6,8-9H,7H2,(H,19,22)(H,21,23)
InChIKeyJUXIPLWMDSTKFY-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.82
Rot. Bonds4

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 134019864) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID134019864
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C17H12N4O3S/c22-15(19-11-3-4-14-13(6-11)21-17(23)24-14)7-12-9-25-16(20-12)10-2-1-5-18-8-10/h1-6,8-9H,7H2,(H,19,22)(H,21,23)
InChIKeyJUXIPLWMDSTKFY-UHFFFAOYSA-N
XLogP2.82
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388199
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386608

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 134019864) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JUXIPLWMDSTKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c22-15(19-11-3-4-14-13(6-11)21-17(23)24-14)7-12-9-25-16(20-12)10-2-1-5-18-8-10/h1-6,8-9H,7H2,(H,19,22)(H,21,23).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 352.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 134019864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).