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

C16H20Cl2N2O — CID 82989478

IUPAC4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine
SMILESCCCC(CCC)c1noc(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O/c1-3-5-10(6-4-2)15-14(16(19)21-20-15)12-8-7-11(17)9-13(12)18/h7-10H,3-6,19H2,1-2H3
InChIKeyRNEWTXOXIAJDJB-UHFFFAOYSA-N
MW327.26 g/mol
LogP5.91
Rot. Bonds6

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

4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine (PubChem CID 82989478) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine
PubChem CID82989478
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine
SMILESCCCC(CCC)c1noc(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O/c1-3-5-10(6-4-2)15-14(16(19)21-20-15)12-8-7-11(17)9-13(12)18/h7-10H,3-6,19H2,1-2H3
InChIKeyRNEWTXOXIAJDJB-UHFFFAOYSA-N
XLogP5.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine (CID 82989478) is 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine is CCCC(CCC)c1noc(N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine?
The InChIKey is RNEWTXOXIAJDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-3-5-10(6-4-2)15-14(16(19)21-20-15)12-8-7-11(17)9-13(12)18/h7-10H,3-6,19H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine?
4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine has a molecular weight of 327.26 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 82989478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).