sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride

C35H29F2N4NaO6 — CID 157218080

IUPACsodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride
SMILESCc1ccccc1-c1cnc(N(C)c2ccccc2F)o1.Cc1ccccc1-c1cnc(Nc2ccccc2F)o1.O=C=O.O=C=O.[H-].[Na+]
InChIInChI=1S/C17H15FN2O.C16H13FN2O.2CO2.Na.H/c1-12-7-3-4-8-13(12)16-11-19-17(21-16)20(2)15-10-6-5-9-14(15)18;1-11-6-2-3-7-12(11)15-10-18-16(20-15)19-14-9-5-4-8-13(14)17;2*2-1-3;;/h3-11H,1-2H3;2-10H,1H3,(H,18,19);;;;/q;;;;+1;-1
InChIKeyJKXQZDCJXBHMDA-UHFFFAOYSA-N
MW662.63 g/mol
LogP5.04
Rot. Bonds6

About sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride

sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride (PubChem CID 157218080) has the molecular formula C35H29F2N4NaO6 and a molecular weight of 662.63 g/mol. Its IUPAC name is sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride.

Molecular Properties

Compound Namesodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride
PubChem CID157218080
Molecular FormulaC35H29F2N4NaO6
Molecular Weight662.63 g/mol
Exact Mass662.20
IUPAC Namesodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride
SMILESCc1ccccc1-c1cnc(N(C)c2ccccc2F)o1.Cc1ccccc1-c1cnc(Nc2ccccc2F)o1.O=C=O.O=C=O.[H-].[Na+]
InChIInChI=1S/C17H15FN2O.C16H13FN2O.2CO2.Na.H/c1-12-7-3-4-8-13(12)16-11-19-17(21-16)20(2)15-10-6-5-9-14(15)18;1-11-6-2-3-7-12(11)15-10-18-16(20-15)19-14-9-5-4-8-13(14)17;2*2-1-3;;/h3-11H,1-2H3;2-10H,1H3,(H,18,19);;;;/q;;;;+1;-1
InChIKeyJKXQZDCJXBHMDA-UHFFFAOYSA-N
XLogP5.04
TPSA135.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.63
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride?
The IUPAC name of sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride (CID 157218080) is sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride.
What is the SMILES notation for sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride?
The canonical SMILES for sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride is Cc1ccccc1-c1cnc(N(C)c2ccccc2F)o1.Cc1ccccc1-c1cnc(Nc2ccccc2F)o1.O=C=O.O=C=O.[H-].[Na+].
What is the InChIKey of sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride?
The InChIKey is JKXQZDCJXBHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O.C16H13FN2O.2CO2.Na.H/c1-12-7-3-4-8-13(12)16-11-19-17(21-16)20(2)15-10-6-5-9-14(15)18;1-11-6-2-3-7-12(11)15-10-18-16(20-15)19-14-9-5-4-8-13(14)17;2*2-1-3;;/h3-11H,1-2H3;2-10H,1H3,(H,18,19);;;;/q;;;;+1;-1.
What are the key properties of sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride?
sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride has a molecular weight of 662.63 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(carbon dioxide);N-(2-fluorophenyl)-N-methyl-5-(2-methylphenyl)-1,3-oxazol-2-amine;N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine;hydride is sourced from PubChem (CID 157218080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).