5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

C17H17N3O3S — CID 866639

IUPAC5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)sc3nc12
InChIInChI=1S/C17H17N3O3S/c1-10-5-4-6-19-13(10)18-14-11(15(19)21)7-12(24-14)16(22)20-9-23-8-17(20,2)3/h4-7H,8-9H2,1-3H3
InChIKeyRHIKMYNCHKGIPM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.43
Rot. Bonds1

About 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (PubChem CID 866639) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.

Molecular Properties

Compound Name5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
PubChem CID866639
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)sc3nc12
InChIInChI=1S/C17H17N3O3S/c1-10-5-4-6-19-13(10)18-14-11(15(19)21)7-12(24-14)16(22)20-9-23-8-17(20,2)3/h4-7H,8-9H2,1-3H3
InChIKeyRHIKMYNCHKGIPM-UHFFFAOYSA-N
XLogP2.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The IUPAC name of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (CID 866639) is 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.
What is the SMILES notation for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The canonical SMILES for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is Cc1cccn2c(=O)c3cc(C(=O)N4COCC4(C)C)sc3nc12.
What is the InChIKey of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The InChIKey is RHIKMYNCHKGIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-5-4-6-19-13(10)18-14-11(15(19)21)7-12(24-14)16(22)20-9-23-8-17(20,2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one has a molecular weight of 343.41 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is sourced from PubChem (CID 866639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).