N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine

C18H18N2O — CID 139985787

IUPACN-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
SMILESC(=C(NCc1ccccc1)c1ccccc1)C1=NCCO1
InChIInChI=1S/C18H18N2O/c1-3-7-15(8-4-1)14-20-17(13-18-19-11-12-21-18)16-9-5-2-6-10-16/h1-10,13,20H,11-12,14H2
InChIKeySDLZSXBDWKREAV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.25
Rot. Bonds5

About N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine

N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine (PubChem CID 139985787) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine.

Molecular Properties

Compound NameN-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
PubChem CID139985787
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
SMILESC(=C(NCc1ccccc1)c1ccccc1)C1=NCCO1
InChIInChI=1S/C18H18N2O/c1-3-7-15(8-4-1)14-20-17(13-18-19-11-12-21-18)16-9-5-2-6-10-16/h1-10,13,20H,11-12,14H2
InChIKeySDLZSXBDWKREAV-UHFFFAOYSA-N
XLogP3.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54570517
(E)-2-amino-1-(benzylamino)ethenol
CID 144667459
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216761
N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7732666
CID 6395653
CID 6395653
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine?
The IUPAC name of N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine (CID 139985787) is N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine.
What is the SMILES notation for N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine?
The canonical SMILES for N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine is C(=C(NCc1ccccc1)c1ccccc1)C1=NCCO1.
What is the InChIKey of N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine?
The InChIKey is SDLZSXBDWKREAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-7-15(8-4-1)14-20-17(13-18-19-11-12-21-18)16-9-5-2-6-10-16/h1-10,13,20H,11-12,14H2.
What are the key properties of N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine?
N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine has a molecular weight of 278.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine is sourced from PubChem (CID 139985787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).