1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide

C16H23N3O5S — CID 109149254

IUPAC1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CCC(C(=O)NC3CCS(=O)(=O)C3)CC2)no1
InChIInChI=1S/C16H23N3O5S/c1-10-8-14(19-24-10)18-16(21)12-4-2-11(3-5-12)15(20)17-13-6-7-25(22,23)9-13/h8,11-13H,2-7,9H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyCFLNUBSZHLJBJQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.03
Rot. Bonds4

About 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide

1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149254) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
PubChem CID109149254
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CCC(C(=O)NC3CCS(=O)(=O)C3)CC2)no1
InChIInChI=1S/C16H23N3O5S/c1-10-8-14(19-24-10)18-16(21)12-4-2-11(3-5-12)15(20)17-13-6-7-25(22,23)9-13/h8,11-13H,2-7,9H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyCFLNUBSZHLJBJQ-UHFFFAOYSA-N
XLogP1.03
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285324
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712
3-(1,1-dioxothiolan-3-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47237198
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94020812
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109026846
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149247

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide (CID 109149254) is 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide is Cc1cc(NC(=O)C2CCC(C(=O)NC3CCS(=O)(=O)C3)CC2)no1.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is CFLNUBSZHLJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-10-8-14(19-24-10)18-16(21)12-4-2-11(3-5-12)15(20)17-13-6-7-25(22,23)9-13/h8,11-13H,2-7,9H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 369.44 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).