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

C14H13N3O3S — CID 39072452

IUPACN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3oc(=O)[nH]c3c2)cs1
InChIInChI=1S/C14H13N3O3S/c1-2-3-12(18)17-13-15-10(7-21-13)8-4-5-11-9(6-8)16-14(19)20-11/h4-7H,2-3H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyWUSWXBRHTUITKK-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.98
Rot. Bonds4

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

N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 39072452) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID39072452
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3oc(=O)[nH]c3c2)cs1
InChIInChI=1S/C14H13N3O3S/c1-2-3-12(18)17-13-15-10(7-21-13)8-4-5-11-9(6-8)16-14(19)20-11/h4-7H,2-3H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyWUSWXBRHTUITKK-UHFFFAOYSA-N
XLogP2.98
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.98
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]acetamide
CID 39072446
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072716
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
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 116968071
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
5-[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116867590
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 44916334

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide (CID 39072452) is N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide is CCCC(=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]butanamide?
The InChIKey is WUSWXBRHTUITKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-2-3-12(18)17-13-15-10(7-21-13)8-4-5-11-9(6-8)16-14(19)20-11/h4-7H,2-3H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide?
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 303.34 g/mol, XLogP of 2.98, 4 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]butanamide is sourced from PubChem (CID 39072452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).