4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine

C14H16Cl2N2O — CID 66206420

IUPAC4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
SMILESCCCC(C)c1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-3-5-8(2)13-12(14(17)18-19-13)11-9(15)6-4-7-10(11)16/h4,6-8H,3,5H2,1-2H3,(H2,17,18)
InChIKeyMUNWFLURNNNARH-UHFFFAOYSA-N
MW299.20 g/mol
LogP5.13
Rot. Bonds4

About 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine

4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine (PubChem CID 66206420) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
PubChem CID66206420
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
SMILESCCCC(C)c1onc(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O/c1-3-5-8(2)13-12(14(17)18-19-13)11-9(15)6-4-7-10(11)16/h4,6-8H,3,5H2,1-2H3,(H2,17,18)
InChIKeyMUNWFLURNNNARH-UHFFFAOYSA-N
XLogP5.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.20
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525035
4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
CID 66206018
4-(3-methoxyphenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66200696
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
4-(2,6-dichlorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 66206625
5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
CID 66200306
4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66206820
5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 43157336
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine
CID 82987497
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine (CID 66206420) is 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine is CCCC(C)c1onc(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine?
The InChIKey is MUNWFLURNNNARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-3-5-8(2)13-12(14(17)18-19-13)11-9(15)6-4-7-10(11)16/h4,6-8H,3,5H2,1-2H3,(H2,17,18).
What are the key properties of 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine?
4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine has a molecular weight of 299.20 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66206420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).