4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide

C18H24N4O4S — CID 51274962

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-5-7-16(8-6-13)19-18(23)21-9-4-10-22(12-11-21)27(24,25)17-14(2)20-26-15(17)3/h5-8H,4,9-12H2,1-3H3,(H,19,23)
InChIKeyFSCDMHQFFUCEHO-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.53
Rot. Bonds3

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 51274962) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
PubChem CID51274962
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-5-7-16(8-6-13)19-18(23)21-9-4-10-22(12-11-21)27(24,25)17-14(2)20-26-15(17)3/h5-8H,4,9-12H2,1-3H3,(H,19,23)
InChIKeyFSCDMHQFFUCEHO-UHFFFAOYSA-N
XLogP2.53
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxamide
CID 41429999
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110812047
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-[methoxy(methyl)sulfamoyl]phenyl]piperazine-1-carboxamide
CID 55699112
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide
CID 55744775
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811197
3,5-dimethyl-4-[[4-(4-methylphenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 75461716
N-[4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 9151335
N-tert-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carboxamide
CID 110811198
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 56554719
(4-aminophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119697352
(2-anilinophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone
CID 17481067

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide (CID 51274962) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide is Cc1ccc(NC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is FSCDMHQFFUCEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-13-5-7-16(8-6-13)19-18(23)21-9-4-10-22(12-11-21)27(24,25)17-14(2)20-26-15(17)3/h5-8H,4,9-12H2,1-3H3,(H,19,23).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 51274962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).