N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine

C15H17FN2O3S — CID 71858818

IUPACN-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(N(Cc2ccon2)Cc2ccccc2F)C1
InChIInChI=1S/C15H17FN2O3S/c16-15-4-2-1-3-12(15)9-18(10-13-5-7-21-17-13)14-6-8-22(19,20)11-14/h1-5,7,14H,6,8-11H2
InChIKeyBTBBNNOVHUHERR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.00
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine

N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine (PubChem CID 71858818) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine
PubChem CID71858818
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(N(Cc2ccon2)Cc2ccccc2F)C1
InChIInChI=1S/C15H17FN2O3S/c16-15-4-2-1-3-12(15)9-18(10-13-5-7-21-17-13)14-6-8-22(19,20)11-14/h1-5,7,14H,6,8-11H2
InChIKeyBTBBNNOVHUHERR-UHFFFAOYSA-N
XLogP2.00
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine (CID 71858818) is N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(N(Cc2ccon2)Cc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine?
The InChIKey is BTBBNNOVHUHERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c16-15-4-2-1-3-12(15)9-18(10-13-5-7-21-17-13)14-6-8-22(19,20)11-14/h1-5,7,14H,6,8-11H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine?
N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine has a molecular weight of 324.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 71858818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).