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

C13H9F2N3O2 — CID 23019402

IUPACN-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
SMILESFc1ccc(-c2cc(CNc3ccon3)on2)cc1F
InChIInChI=1S/C13H9F2N3O2/c14-10-2-1-8(5-11(10)15)12-6-9(20-17-12)7-16-13-3-4-19-18-13/h1-6H,7H2,(H,16,18)
InChIKeyGAYZWIXNMQFSBN-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.22
Rot. Bonds4

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

N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine (PubChem CID 23019402) has the molecular formula C13H9F2N3O2 and a molecular weight of 277.23 g/mol. Its IUPAC name is N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
PubChem CID23019402
Molecular FormulaC13H9F2N3O2
Molecular Weight277.23 g/mol
Exact Mass277.07
IUPAC NameN-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
SMILESFc1ccc(-c2cc(CNc3ccon3)on2)cc1F
InChIInChI=1S/C13H9F2N3O2/c14-10-2-1-8(5-11(10)15)12-6-9(20-17-12)7-16-13-3-4-19-18-13/h1-6H,7H2,(H,16,18)
InChIKeyGAYZWIXNMQFSBN-UHFFFAOYSA-N
XLogP3.22
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine (CID 23019402) is N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine is Fc1ccc(-c2cc(CNc3ccon3)on2)cc1F.
What is the InChIKey of N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The InChIKey is GAYZWIXNMQFSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2/c14-10-2-1-8(5-11(10)15)12-6-9(20-17-12)7-16-13-3-4-19-18-13/h1-6H,7H2,(H,16,18).
What are the key properties of N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine has a molecular weight of 277.23 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 23019402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).