3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine

C10H8F2N2O2 — CID 82080942

IUPAC3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine
SMILESNc1cc(COc2ccc(F)cc2F)no1
InChIInChI=1S/C10H8F2N2O2/c11-6-1-2-9(8(12)3-6)15-5-7-4-10(13)16-14-7/h1-4H,5,13H2
InChIKeyKPDXMQAKIPTRFL-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.11
Rot. Bonds3

About 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine

3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine (PubChem CID 82080942) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine
PubChem CID82080942
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine
SMILESNc1cc(COc2ccc(F)cc2F)no1
InChIInChI=1S/C10H8F2N2O2/c11-6-1-2-9(8(12)3-6)15-5-7-4-10(13)16-14-7/h1-4H,5,13H2
InChIKeyKPDXMQAKIPTRFL-UHFFFAOYSA-N
XLogP2.11
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
3-[2-(2-fluorophenoxy)ethyl]-1,2-oxazol-5-amine
CID 82080194
3-[(2-bromo-4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 28782461
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62450541
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62450542
3-[(2,4-difluorophenoxy)methyl]-5-fluoroaniline
CID 112646416
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
CID 122171360
2-chloro-5-[(2,4-difluorophenoxy)methyl]-1,3-thiazole
CID 79764988

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine (CID 82080942) is 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine is Nc1cc(COc2ccc(F)cc2F)no1.
What is the InChIKey of 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine?
The InChIKey is KPDXMQAKIPTRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-6-1-2-9(8(12)3-6)15-5-7-4-10(13)16-14-7/h1-4H,5,13H2.
What are the key properties of 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine?
3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine has a molecular weight of 226.18 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 82080942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).