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

C17H23N5O5S — CID 55744775

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ncccc1NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C17H23N5O5S/c1-12-15(13(2)27-20-12)28(24,25)22-9-5-8-21(10-11-22)17(23)19-14-6-4-7-18-16(14)26-3/h4,6-7H,5,8-11H2,1-3H3,(H,19,23)
InChIKeyBZKUCLFQUCFJMD-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.62
Rot. Bonds4

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide (PubChem CID 55744775) has the molecular formula C17H23N5O5S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide
PubChem CID55744775
Molecular FormulaC17H23N5O5S
Molecular Weight409.47 g/mol
Exact Mass409.14
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ncccc1NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C17H23N5O5S/c1-12-15(13(2)27-20-12)28(24,25)22-9-5-8-21(10-11-22)17(23)19-14-6-4-7-18-16(14)26-3/h4,6-7H,5,8-11H2,1-3H3,(H,19,23)
InChIKeyBZKUCLFQUCFJMD-UHFFFAOYSA-N
XLogP1.62
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 51274962
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
(2-anilinophenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone
CID 17481067
methyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797691
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811197
N-tert-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carboxamide
CID 110811198
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 43046598
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
2-(4-chlorophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 27733634
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide (CID 55744775) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide is COc1ncccc1NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide?
The InChIKey is BZKUCLFQUCFJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5S/c1-12-15(13(2)27-20-12)28(24,25)22-9-5-8-21(10-11-22)17(23)19-14-6-4-7-18-16(14)26-3/h4,6-7H,5,8-11H2,1-3H3,(H,19,23).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 55744775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).