5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine

C12H12F2N2O — CID 79411963

IUPAC5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(F)ccc1F
InChIInChI=1S/C12H12F2N2O/c1-2-3-8-11(17-16-12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,2-3H2,1H3,(H2,15,16)
InChIKeySSDCGOZDGASGJO-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.15
Rot. Bonds3

About 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine

5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 79411963) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID79411963
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(F)ccc1F
InChIInChI=1S/C12H12F2N2O/c1-2-3-8-11(17-16-12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,2-3H2,1H3,(H2,15,16)
InChIKeySSDCGOZDGASGJO-UHFFFAOYSA-N
XLogP3.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-4-phenylisoxazole
CID 5325760
1,2-Benzoxazol-3-amine
CID 2779749
5-Phenyl-1,2-oxazol-3-amine
CID 3620792
4-Bromo-5-phenyl-1,2-oxazol-3-amine
CID 12371364
5-(4-Fluorophenyl)-1,2-oxazol-3-amine
CID 13200424
4-Phenyl-1,2-oxazol-3-amine
CID 10773253
5-(Trifluoromethyl)-1,2-benzoxazol-3-amine
CID 43811099
Methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate
CID 122207393
Methyl 5-(4-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate
CID 162645346
4-Chloro-5-phenyl-1,2-oxazol-3-amine
CID 12371363
7-Trifluoromethyl-benzo[d]isoxazol-3-ylamine
CID 10774456
4-Fluoro-1,2-benzoxazol-3-amine
CID 16637457

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine (CID 79411963) is 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is SSDCGOZDGASGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-3-8-11(17-16-12(8)15)9-6-7(13)4-5-10(9)14/h4-6H,2-3H2,1H3,(H2,15,16).
What are the key properties of 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine?
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 238.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79411963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).