3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

C26H24N2O3 — CID 135445166

IUPAC3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCCOc1cccc2c(-c3ccccc3)c(C3=NOC(c4ccc(OC)cc4)C3)[nH]c12
InChIInChI=1S/C26H24N2O3/c1-3-30-22-11-7-10-20-24(18-8-5-4-6-9-18)26(27-25(20)22)21-16-23(31-28-21)17-12-14-19(29-2)15-13-17/h4-15,23,27H,3,16H2,1-2H3
InChIKeyBVMCFEBRXBYBRT-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.11
Rot. Bonds6

About 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 135445166) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID135445166
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCCOc1cccc2c(-c3ccccc3)c(C3=NOC(c4ccc(OC)cc4)C3)[nH]c12
InChIInChI=1S/C26H24N2O3/c1-3-30-22-11-7-10-20-24(18-8-5-4-6-9-18)26(27-25(20)22)21-16-23(31-28-21)17-12-14-19(29-2)15-13-17/h4-15,23,27H,3,16H2,1-2H3
InChIKeyBVMCFEBRXBYBRT-UHFFFAOYSA-N
XLogP6.11
TPSA55.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
5-(furan-2-yl)-3-(7-methyl-3-phenyl-1H-indol-2-yl)-4,5-dihydro-1,2-oxazole
CID 135518262
5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
CID 10414821
3-(furan-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 53316962
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
5-(4-methoxyphenyl)-3-(5-methyl-1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
CID 122372985
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
CID 105458829
2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 10612032
5-(4-methoxyphenyl)-3-[1-[3-(trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazole
CID 53322240
3-(2-methoxypropan-2-yl)-5-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,2,4-oxadiazole
CID 95972496
2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid
CID 25115791
4-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)benzonitrile
CID 10402420

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 135445166) is 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is CCOc1cccc2c(-c3ccccc3)c(C3=NOC(c4ccc(OC)cc4)C3)[nH]c12.
What is the InChIKey of 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is BVMCFEBRXBYBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-30-22-11-7-10-20-24(18-8-5-4-6-9-18)26(27-25(20)22)21-16-23(31-28-21)17-12-14-19(29-2)15-13-17/h4-15,23,27H,3,16H2,1-2H3.
What are the key properties of 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 412.49 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethoxy-3-phenyl-1H-indol-2-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 135445166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).