2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole

C27H24N2O3 — CID 126494895

IUPAC2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2nc(CCc3c[nH]c4ccccc34)oc2-c2cccc(OC)c2)c1
InChIInChI=1S/C27H24N2O3/c1-30-21-9-5-7-18(15-21)26-27(19-8-6-10-22(16-19)31-2)32-25(29-26)14-13-20-17-28-24-12-4-3-11-23(20)24/h3-12,15-17,28H,13-14H2,1-2H3
InChIKeyMCYYEJRDTLOPGB-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.29
Rot. Bonds7

About 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole

2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole (PubChem CID 126494895) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole
PubChem CID126494895
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(-c2nc(CCc3c[nH]c4ccccc34)oc2-c2cccc(OC)c2)c1
InChIInChI=1S/C27H24N2O3/c1-30-21-9-5-7-18(15-21)26-27(19-8-6-10-22(16-19)31-2)32-25(29-26)14-13-20-17-28-24-12-4-3-11-23(20)24/h3-12,15-17,28H,13-14H2,1-2H3
InChIKeyMCYYEJRDTLOPGB-UHFFFAOYSA-N
XLogP6.29
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-[3-chloro-5-[3-[2-[3-(1H-indol-3-yl)propyl]-5-(3-methoxyphenyl)-1,3-oxazol-4-yl]-5-methoxyphenyl]phenyl]-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495200
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391893
ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol
CID 159445993
4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole;4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole;3-[5-(3-hydroxyphenyl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-yl]phenol;3-[5-(3-hydroxyphenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-4-yl]phenol;2-[3-(1H-indol-3-yl)propyl]-4,5-bis(3-methylphenyl)-1,3-oxazole;2-[3-(1H-indol-3-yl)propyl]-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 161020231
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
4,5-diphenyl-2-quinolin-3-yl-1,3-oxazole;ethane;3-[5-(3-hydroxyphenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenol
CID 145233731
4-[2-[[4,5-bis(ethenyl)-1H-pyrrol-3-yl]methyl]-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]phenol;2-(1H-indol-3-yl)-4,5-bis[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 145233758
N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
CID 110432899
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole (CID 126494895) is 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole is COc1cccc(-c2nc(CCc3c[nH]c4ccccc34)oc2-c2cccc(OC)c2)c1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole?
The InChIKey is MCYYEJRDTLOPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-30-21-9-5-7-18(15-21)26-27(19-8-6-10-22(16-19)31-2)32-25(29-26)14-13-20-17-28-24-12-4-3-11-23(20)24/h3-12,15-17,28H,13-14H2,1-2H3.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole?
2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole has a molecular weight of 424.50 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-4,5-bis(3-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 126494895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).