6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile

C19H13N3O2 — CID 22238492

IUPAC6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile
SMILESCOc1cc2[nH]c(-c3ccccc3)c(C#N)c2cc1-c1cnco1
InChIInChI=1S/C19H13N3O2/c1-23-17-8-16-13(7-14(17)18-10-21-11-24-18)15(9-20)19(22-16)12-5-3-2-4-6-12/h2-8,10-11,22H,1H3
InChIKeyMGVKGGBGHKBCSB-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.37
Rot. Bonds3

About 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile

6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile (PubChem CID 22238492) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile
PubChem CID22238492
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile
SMILESCOc1cc2[nH]c(-c3ccccc3)c(C#N)c2cc1-c1cnco1
InChIInChI=1S/C19H13N3O2/c1-23-17-8-16-13(7-14(17)18-10-21-11-24-18)15(9-20)19(22-16)12-5-3-2-4-6-12/h2-8,10-11,22H,1H3
InChIKeyMGVKGGBGHKBCSB-UHFFFAOYSA-N
XLogP4.37
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile?
The IUPAC name of 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile (CID 22238492) is 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile.
What is the SMILES notation for 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile?
The canonical SMILES for 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile is COc1cc2[nH]c(-c3ccccc3)c(C#N)c2cc1-c1cnco1.
What is the InChIKey of 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile?
The InChIKey is MGVKGGBGHKBCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c1-23-17-8-16-13(7-14(17)18-10-21-11-24-18)15(9-20)19(22-16)12-5-3-2-4-6-12/h2-8,10-11,22H,1H3.
What are the key properties of 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile?
6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile has a molecular weight of 315.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(1,3-oxazol-5-yl)-2-phenyl-1H-indole-3-carbonitrile is sourced from PubChem (CID 22238492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).