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

C12H9N3O3S — CID 39072446

IUPACN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc3oc(=O)[nH]c3c2)cs1
InChIInChI=1S/C12H9N3O3S/c1-6(16)13-11-14-9(5-19-11)7-2-3-10-8(4-7)15-12(17)18-10/h2-5H,1H3,(H,15,17)(H,13,14,16)
InChIKeyVUBUQYDNUGDTRH-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.20
Rot. Bonds2

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

N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 39072446) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID39072446
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC NameN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc3oc(=O)[nH]c3c2)cs1
InChIInChI=1S/C12H9N3O3S/c1-6(16)13-11-14-9(5-19-11)7-2-3-10-8(4-7)15-12(17)18-10/h2-5H,1H3,(H,15,17)(H,13,14,16)
InChIKeyVUBUQYDNUGDTRH-UHFFFAOYSA-N
XLogP2.20
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072452
1-(4-chlorophenyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]urea
CID 39072617
2-bromo-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39072513
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 39072803
5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 116968071
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072716
5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116867590
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 39072606
5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116970352
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]prop-2-enamide
CID 84561137
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 39072446) is N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc3oc(=O)[nH]c3c2)cs1.
What is the InChIKey of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VUBUQYDNUGDTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c1-6(16)13-11-14-9(5-19-11)7-2-3-10-8(4-7)15-12(17)18-10/h2-5H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 275.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 39072446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).