2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine

C10H9F2N3O — CID 91461907

IUPAC2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine
SMILESCNc1nc(-c2c(F)cccc2F)oc1N
InChIInChI=1S/C10H9F2N3O/c1-14-9-8(13)16-10(15-9)7-5(11)3-2-4-6(7)12/h2-4,14H,13H2,1H3
InChIKeyBDMWPASESNJRRV-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.24
Rot. Bonds2

About 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine

2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine (PubChem CID 91461907) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine
PubChem CID91461907
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine
SMILESCNc1nc(-c2c(F)cccc2F)oc1N
InChIInChI=1S/C10H9F2N3O/c1-14-9-8(13)16-10(15-9)7-5(11)3-2-4-6(7)12/h2-4,14H,13H2,1H3
InChIKeyBDMWPASESNJRRV-UHFFFAOYSA-N
XLogP2.24
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine?
The IUPAC name of 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine (CID 91461907) is 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine is CNc1nc(-c2c(F)cccc2F)oc1N.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine?
The InChIKey is BDMWPASESNJRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-14-9-8(13)16-10(15-9)7-5(11)3-2-4-6(7)12/h2-4,14H,13H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine?
2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine has a molecular weight of 225.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-N-methyl-1,3-oxazole-4,5-diamine is sourced from PubChem (CID 91461907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).