4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole

C19H14N2O — CID 45276468

IUPAC4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole
SMILESC(=C/c1nc(-c2c[nH]c3ccccc23)co1)\c1ccccc1
InChIInChI=1S/C19H14N2O/c1-2-6-14(7-3-1)10-11-19-21-18(13-22-19)16-12-20-17-9-5-4-8-15(16)17/h1-13,20H/b11-10+
InChIKeySZWRWDVLMUEXGK-ZHACJKMWSA-N
MW286.33 g/mol
LogP4.99
Rot. Bonds3

About 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole

4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole (PubChem CID 45276468) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole
PubChem CID45276468
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole
SMILESC(=C/c1nc(-c2c[nH]c3ccccc23)co1)\c1ccccc1
InChIInChI=1S/C19H14N2O/c1-2-6-14(7-3-1)10-11-19-21-18(13-22-19)16-12-20-17-9-5-4-8-15(16)17/h1-13,20H/b11-10+
InChIKeySZWRWDVLMUEXGK-ZHACJKMWSA-N
XLogP4.99
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole?
The IUPAC name of 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole (CID 45276468) is 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole?
The canonical SMILES for 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole is C(=C/c1nc(-c2c[nH]c3ccccc23)co1)\c1ccccc1.
What is the InChIKey of 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole?
The InChIKey is SZWRWDVLMUEXGK-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-6-14(7-3-1)10-11-19-21-18(13-22-19)16-12-20-17-9-5-4-8-15(16)17/h1-13,20H/b11-10+.
What are the key properties of 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole?
4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole has a molecular weight of 286.33 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazole is sourced from PubChem (CID 45276468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).