N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine

C16H19FN2O2S — CID 75377114

IUPACN-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine
SMILESCN(Cc1ncc(-c2cccc(F)c2)o1)C1CCS(=O)CC1
InChIInChI=1S/C16H19FN2O2S/c1-19(14-5-7-22(20)8-6-14)11-16-18-10-15(21-16)12-3-2-4-13(17)9-12/h2-4,9-10,14H,5-8,11H2,1H3
InChIKeyPHXGIGDPIVBQTE-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.82
Rot. Bonds4

About N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine

N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine (PubChem CID 75377114) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine
PubChem CID75377114
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC NameN-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine
SMILESCN(Cc1ncc(-c2cccc(F)c2)o1)C1CCS(=O)CC1
InChIInChI=1S/C16H19FN2O2S/c1-19(14-5-7-22(20)8-6-14)11-16-18-10-15(21-16)12-3-2-4-13(17)9-12/h2-4,9-10,14H,5-8,11H2,1H3
InChIKeyPHXGIGDPIVBQTE-UHFFFAOYSA-N
XLogP2.82
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine?
The IUPAC name of N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine (CID 75377114) is N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine is CN(Cc1ncc(-c2cccc(F)c2)o1)C1CCS(=O)CC1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine?
The InChIKey is PHXGIGDPIVBQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-19(14-5-7-22(20)8-6-14)11-16-18-10-15(21-16)12-3-2-4-13(17)9-12/h2-4,9-10,14H,5-8,11H2,1H3.
What are the key properties of N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine?
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine has a molecular weight of 322.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-oxothian-4-amine is sourced from PubChem (CID 75377114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).