[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate

C14H11N3O4S — CID 23744818

IUPAC[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate
SMILESCC(OC(=O)c1cccc2ocnc12)C(=O)Nc1nccs1
InChIInChI=1S/C14H11N3O4S/c1-8(12(18)17-14-15-5-6-22-14)21-13(19)9-3-2-4-10-11(9)16-7-20-10/h2-8H,1H3,(H,15,17,18)
InChIKeyBSAGMMORBWCSGQ-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.47
Rot. Bonds4

About [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate

[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate (PubChem CID 23744818) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate
PubChem CID23744818
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate
SMILESCC(OC(=O)c1cccc2ocnc12)C(=O)Nc1nccs1
InChIInChI=1S/C14H11N3O4S/c1-8(12(18)17-14-15-5-6-22-14)21-13(19)9-3-2-4-10-11(9)16-7-20-10/h2-8H,1H3,(H,15,17,18)
InChIKeyBSAGMMORBWCSGQ-UHFFFAOYSA-N
XLogP2.47
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23916024
[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 3-aminobenzoate
CID 23744803
[1-(4-acetamidoanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23972279
[1-[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23744892
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23943977
[1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23916198
[1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23888336
ethyl 1,3-benzoxazole-4-carboxylate
CID 131699993
2-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311
[1-(3-methylanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate
CID 23774207
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate?
The IUPAC name of [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate (CID 23744818) is [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate?
The canonical SMILES for [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate is CC(OC(=O)c1cccc2ocnc12)C(=O)Nc1nccs1.
What is the InChIKey of [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate?
The InChIKey is BSAGMMORBWCSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c1-8(12(18)17-14-15-5-6-22-14)21-13(19)9-3-2-4-10-11(9)16-7-20-10/h2-8H,1H3,(H,15,17,18).
What are the key properties of [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate?
[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate has a molecular weight of 317.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 1,3-benzoxazole-4-carboxylate is sourced from PubChem (CID 23744818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).