3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide

C13H11N3O3S — CID 110678766

IUPAC3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1nccs1
InChIInChI=1S/C13H11N3O3S/c17-11(16-12-14-5-6-20-12)4-2-8-1-3-10-9(7-8)15-13(18)19-10/h1,3,5-7H,2,4H2,(H,15,18)(H,14,16,17)
InChIKeyRXMMLQLCAAMBGQ-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.15
Rot. Bonds4

About 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 110678766) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID110678766
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1nccs1
InChIInChI=1S/C13H11N3O3S/c17-11(16-12-14-5-6-20-12)4-2-8-1-3-10-9(7-8)15-13(18)19-10/h1,3,5-7H,2,4H2,(H,15,18)(H,14,16,17)
InChIKeyRXMMLQLCAAMBGQ-UHFFFAOYSA-N
XLogP2.15
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110390501
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110390495
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390399
N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 18145579
4-amino-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]butanamide
CID 115155445
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072452

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 110678766) is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1nccs1.
What is the InChIKey of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RXMMLQLCAAMBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-11(16-12-14-5-6-20-12)4-2-8-1-3-10-9(7-8)15-13(18)19-10/h1,3,5-7H,2,4H2,(H,15,18)(H,14,16,17).
What are the key properties of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 289.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110678766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).