1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine

C20H24N2O — CID 57144396

IUPAC1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C20H24N2O/c1-2-21-19(14-17-11-7-4-8-12-17)20-15-18(22-23-20)13-16-9-5-3-6-10-16/h3-12,15,19-22H,2,13-14H2,1H3
InChIKeyXVDADMJXHYNXON-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.24
Rot. Bonds7

About 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine

1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine (PubChem CID 57144396) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine
PubChem CID57144396
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C20H24N2O/c1-2-21-19(14-17-11-7-4-8-12-17)20-15-18(22-23-20)13-16-9-5-3-6-10-16/h3-12,15,19-22H,2,13-14H2,1H3
InChIKeyXVDADMJXHYNXON-UHFFFAOYSA-N
XLogP3.24
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine (CID 57144396) is 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1.
What is the InChIKey of 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine?
The InChIKey is XVDADMJXHYNXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-21-19(14-17-11-7-4-8-12-17)20-15-18(22-23-20)13-16-9-5-3-6-10-16/h3-12,15,19-22H,2,13-14H2,1H3.
What are the key properties of 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine?
1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine has a molecular weight of 308.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 57144396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).