2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide

C9H14N4O5S — CID 156549733

IUPAC2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)NS(=O)(=O)N2CCCOCC2)co1
InChIInChI=1S/C9H14N4O5S/c10-9-11-7(6-18-9)8(14)12-19(15,16)13-2-1-4-17-5-3-13/h6H,1-5H2,(H2,10,11)(H,12,14)
InChIKeyFLWYZIUXEFIMPH-UHFFFAOYSA-N
MW290.30 g/mol
LogP-1.05
Rot. Bonds3

About 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide

2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide (PubChem CID 156549733) has the molecular formula C9H14N4O5S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
PubChem CID156549733
Molecular FormulaC9H14N4O5S
Molecular Weight290.30 g/mol
Exact Mass290.07
IUPAC Name2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)NS(=O)(=O)N2CCCOCC2)co1
InChIInChI=1S/C9H14N4O5S/c10-9-11-7(6-18-9)8(14)12-19(15,16)13-2-1-4-17-5-3-13/h6H,1-5H2,(H2,10,11)(H,12,14)
InChIKeyFLWYZIUXEFIMPH-UHFFFAOYSA-N
XLogP-1.05
TPSA127.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]amino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 170442219
2-[[1,3-di(propan-2-yl)pyrazol-4-yl]amino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549538
2-[(3-cyclopropyl-1-propan-2-ylpyrazol-4-yl)amino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549646
2-[2-methyl-5-(2,2,2-trifluoroethyl)anilino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549487
N-morpholin-4-ylsulfonyl-2-[2-propan-2-yl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549831
2-(2,6-difluorophenyl)-1-methyl-N-morpholin-4-ylsulfonylimidazole-4-carboxamide
CID 155116605
2-(4-fluoro-2-methyl-5-propan-2-ylanilino)-N-[(6-hydroxy-6-methyl-1,4-oxazepan-4-yl)sulfonyl]-1,3-oxazole-4-carboxamide
CID 156549554
2-[(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-N-(3-oxopyrrolidin-1-yl)sulfonyl-1,3-oxazole-4-carboxamide
CID 156549451
4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 102931217
2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide
CID 170445813
7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide
CID 167907181
N-(4-acetamidopiperidin-1-yl)sulfonyl-2-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1,3-oxazole-4-carboxamide
CID 156549449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide (CID 156549733) is 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)NS(=O)(=O)N2CCCOCC2)co1.
What is the InChIKey of 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FLWYZIUXEFIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5S/c10-9-11-7(6-18-9)8(14)12-19(15,16)13-2-1-4-17-5-3-13/h6H,1-5H2,(H2,10,11)(H,12,14).
What are the key properties of 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide?
2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide has a molecular weight of 290.30 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).