3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine

C12H12Cl2N2O — CID 113490775

IUPAC3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
SMILESCC(C)c1c(-c2cc(Cl)ccc2Cl)noc1N
InChIInChI=1S/C12H12Cl2N2O/c1-6(2)10-11(16-17-12(10)15)8-5-7(13)3-4-9(8)14/h3-6H,15H2,1-2H3
InChIKeyCUNCFYVGVYFXAA-UHFFFAOYSA-N
MW271.15 g/mol
LogP4.35
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine

3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 113490775) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
PubChem CID113490775
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
SMILESCC(C)c1c(-c2cc(Cl)ccc2Cl)noc1N
InChIInChI=1S/C12H12Cl2N2O/c1-6(2)10-11(16-17-12(10)15)8-5-7(13)3-4-9(8)14/h3-6H,15H2,1-2H3
InChIKeyCUNCFYVGVYFXAA-UHFFFAOYSA-N
XLogP4.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine (CID 113490775) is 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine is CC(C)c1c(-c2cc(Cl)ccc2Cl)noc1N.
What is the InChIKey of 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is CUNCFYVGVYFXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-6(2)10-11(16-17-12(10)15)8-5-7(13)3-4-9(8)14/h3-6H,15H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine?
3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 271.15 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 113490775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).