N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C14H16Cl2N2O — CID 65240284

IUPACN-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnoc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c1-14(2,3)17-7-10-8-18-19-13(10)9-4-5-11(15)12(16)6-9/h4-6,8,17H,7H2,1-3H3
InChIKeyFSWNYCXCPNOCAQ-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.54
Rot. Bonds3

About N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65240284) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID65240284
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC NameN-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnoc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c1-14(2,3)17-7-10-8-18-19-13(10)9-4-5-11(15)12(16)6-9/h4-6,8,17H,7H2,1-3H3
InChIKeyFSWNYCXCPNOCAQ-UHFFFAOYSA-N
XLogP4.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 65240284) is N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnoc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FSWNYCXCPNOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-14(2,3)17-7-10-8-18-19-13(10)9-4-5-11(15)12(16)6-9/h4-6,8,17H,7H2,1-3H3.
What are the key properties of N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.20 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65240284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).