5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

C12H10N2O3S — CID 116867590

IUPAC5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESCC(O)c1nc(-c2ccc3oc(=O)[nH]c3c2)cs1
InChIInChI=1S/C12H10N2O3S/c1-6(15)11-13-9(5-18-11)7-2-3-10-8(4-7)14-12(16)17-10/h2-6,15H,1H3,(H,14,16)
InChIKeyWHVZKBNHNGGZJO-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.30
Rot. Bonds2

About 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 116867590) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
PubChem CID116867590
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESCC(O)c1nc(-c2ccc3oc(=O)[nH]c3c2)cs1
InChIInChI=1S/C12H10N2O3S/c1-6(15)11-13-9(5-18-11)7-2-3-10-8(4-7)14-12(16)17-10/h2-6,15H,1H3,(H,14,16)
InChIKeyWHVZKBNHNGGZJO-UHFFFAOYSA-N
XLogP2.30
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 116968071
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39072446
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116970352
5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
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
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
CID 110350957
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 39072803
2-bromo-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39072513
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one (CID 116867590) is 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one is CC(O)c1nc(-c2ccc3oc(=O)[nH]c3c2)cs1.
What is the InChIKey of 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is WHVZKBNHNGGZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-6(15)11-13-9(5-18-11)7-2-3-10-8(4-7)14-12(16)17-10/h2-6,15H,1H3,(H,14,16).
What are the key properties of 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 262.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116867590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).