N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine

C27H28N2OS — CID 129076628

IUPACN-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine
SMILESC=Cc1ccc(-c2noc(CN(CC)CC)c2Cc2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C27H28N2OS/c1-4-20-9-15-23(16-10-20)27-24(25(30-28-27)19-29(5-2)6-3)18-21-11-13-22(14-12-21)26-8-7-17-31-26/h4,7-17H,1,5-6,18-19H2,2-3H3
InChIKeyOXOWEENKJSJVAW-UHFFFAOYSA-N
MW428.60 g/mol
LogP7.15
Rot. Bonds9

About N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine

N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine (PubChem CID 129076628) has the molecular formula C27H28N2OS and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine
PubChem CID129076628
Molecular FormulaC27H28N2OS
Molecular Weight428.60 g/mol
Exact Mass428.19
IUPAC NameN-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine
SMILESC=Cc1ccc(-c2noc(CN(CC)CC)c2Cc2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C27H28N2OS/c1-4-20-9-15-23(16-10-20)27-24(25(30-28-27)19-29(5-2)6-3)18-21-11-13-22(14-12-21)26-8-7-17-31-26/h4,7-17H,1,5-6,18-19H2,2-3H3
InChIKeyOXOWEENKJSJVAW-UHFFFAOYSA-N
XLogP7.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine with MolForge

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Related Compounds

2-[4-(4-ethenylphenyl)phenyl]thiophene
CID 139982271
2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 86005531
5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole
CID 135031963
2-[4-(4-but-3-enylphenyl)phenyl]thiophene
CID 142376993
2-(4-thiophen-2-ylphenyl)acetaldehyde
CID 87498538
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
2-[4-(chloromethyl)phenyl]thiophene
CID 21186166
3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62852990
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118907
2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
CID 159854693

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine (CID 129076628) is N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine is C=Cc1ccc(-c2noc(CN(CC)CC)c2Cc2ccc(-c3cccs3)cc2)cc1.
What is the InChIKey of N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine?
The InChIKey is OXOWEENKJSJVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2OS/c1-4-20-9-15-23(16-10-20)27-24(25(30-28-27)19-29(5-2)6-3)18-21-11-13-22(14-12-21)26-8-7-17-31-26/h4,7-17H,1,5-6,18-19H2,2-3H3.
What are the key properties of N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine?
N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine has a molecular weight of 428.60 g/mol, XLogP of 7.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethenylphenyl)-4-[(4-thiophen-2-ylphenyl)methyl]-1,2-oxazol-5-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 129076628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).