N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine

C17H23ClN2O — CID 52624943

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine
SMILESCCN(Cc1cccc(Cl)c1)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C17H23ClN2O/c1-5-20(11-13-7-6-8-14(18)9-13)12-16-19-10-15(21-16)17(2,3)4/h6-10H,5,11-12H2,1-4H3
InChIKeyYCPOKCRVBHKOKU-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.65
Rot. Bonds5

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine (PubChem CID 52624943) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine
PubChem CID52624943
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine
SMILESCCN(Cc1cccc(Cl)c1)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C17H23ClN2O/c1-5-20(11-13-7-6-8-14(18)9-13)12-16-19-10-15(21-16)17(2,3)4/h6-10H,5,11-12H2,1-4H3
InChIKeyYCPOKCRVBHKOKU-UHFFFAOYSA-N
XLogP4.65
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine (CID 52624943) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine is CCN(Cc1cccc(Cl)c1)Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine?
The InChIKey is YCPOKCRVBHKOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-5-20(11-13-7-6-8-14(18)9-13)12-16-19-10-15(21-16)17(2,3)4/h6-10H,5,11-12H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine has a molecular weight of 306.84 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(3-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 52624943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).