2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide

C20H29N5O6S2 — CID 156549002

IUPAC2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
SMILESCCCS(=O)(=O)N1CCCN(S(=O)(=O)NC(=O)c2coc(Nc3cc(C)ccc3C)n2)CC1
InChIInChI=1S/C20H29N5O6S2/c1-4-12-32(27,28)24-8-5-9-25(11-10-24)33(29,30)23-19(26)18-14-31-20(22-18)21-17-13-15(2)6-7-16(17)3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,21,22)(H,23,26)
InChIKeyZUANBZDMQRTDKN-UHFFFAOYSA-N
MW499.62 g/mol
LogP1.76
Rot. Bonds8

About 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide

2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide (PubChem CID 156549002) has the molecular formula C20H29N5O6S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
PubChem CID156549002
Molecular FormulaC20H29N5O6S2
Molecular Weight499.62 g/mol
Exact Mass499.16
IUPAC Name2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
SMILESCCCS(=O)(=O)N1CCCN(S(=O)(=O)NC(=O)c2coc(Nc3cc(C)ccc3C)n2)CC1
InChIInChI=1S/C20H29N5O6S2/c1-4-12-32(27,28)24-8-5-9-25(11-10-24)33(29,30)23-19(26)18-14-31-20(22-18)21-17-13-15(2)6-7-16(17)3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,21,22)(H,23,26)
InChIKeyZUANBZDMQRTDKN-UHFFFAOYSA-N
XLogP1.76
TPSA141.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-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-[5-(difluoromethyl)-2-methylanilino]-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide
CID 170445663
2-(2,5-dimethylanilino)-N-pyrrolidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
CID 156549878
2-(2,5-dimethylanilino)-N-[[4-(dimethylsulfamoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-oxazole-4-carboxamide
CID 170445813
2-[2-methyl-5-(2,2,2-trifluoroethyl)anilino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549487
N-[[7-(cyclobutylmethoxymethyl)-1,4-oxazepan-4-yl]sulfonyl]-2-(2,5-dimethylanilino)-1,3-oxazole-4-carboxamide
CID 156549691
N-(3,3-dimethylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549852
2-[2-methyl-5-(trifluoromethyl)anilino]-N-(4-phenylpiperazin-1-yl)sulfonyl-1,3-oxazole-4-carboxamide
CID 156549795
N-(3-methylpyrrolidin-1-yl)sulfonyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549861
2-(4-fluoro-2,5-dimethylanilino)-N-[[7-(propan-2-ylsulfonylmethyl)-1,4-oxazepan-4-yl]sulfonyl]-1,3-oxazole-4-carboxamide
CID 156549000
N-[[4-(2,2-dimethylpropylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-2-[[1,3-di(propan-2-yl)pyrazol-4-yl]methylamino]-1,3-oxazole-4-carboxamide
CID 156549860
2-[[1,3-di(propan-2-yl)pyrazol-4-yl]amino]-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549538
N-[[7-(ethoxymethyl)-1,4-oxazepan-4-yl]sulfonyl]-2-(4-fluoro-2-methyl-5-propan-2-ylanilino)-1,3-oxazole-4-carboxamide
CID 156549687

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide (CID 156549002) is 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide is CCCS(=O)(=O)N1CCCN(S(=O)(=O)NC(=O)c2coc(Nc3cc(C)ccc3C)n2)CC1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZUANBZDMQRTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O6S2/c1-4-12-32(27,28)24-8-5-9-25(11-10-24)33(29,30)23-19(26)18-14-31-20(22-18)21-17-13-15(2)6-7-16(17)3/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,21,22)(H,23,26).
What are the key properties of 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide?
2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-[(4-propylsulfonyl-1,4-diazepan-1-yl)sulfonyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).