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

C20H15N3O2 — CID 22238495

IUPAC2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile
SMILESCOc1cc2[nH]c(Cc3ccccc3)c(C#N)c2cc1-c1cnco1
InChIInChI=1S/C20H15N3O2/c1-24-19-9-18-14(8-15(19)20-11-22-12-25-20)16(10-21)17(23-18)7-13-5-3-2-4-6-13/h2-6,8-9,11-12,23H,7H2,1H3
InChIKeyOMURDLKZQFOTPN-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.29
Rot. Bonds4

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

2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile (PubChem CID 22238495) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile
PubChem CID22238495
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile
SMILESCOc1cc2[nH]c(Cc3ccccc3)c(C#N)c2cc1-c1cnco1
InChIInChI=1S/C20H15N3O2/c1-24-19-9-18-14(8-15(19)20-11-22-12-25-20)16(10-21)17(23-18)7-13-5-3-2-4-6-13/h2-6,8-9,11-12,23H,7H2,1H3
InChIKeyOMURDLKZQFOTPN-UHFFFAOYSA-N
XLogP4.29
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile?
The IUPAC name of 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile (CID 22238495) is 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile?
The canonical SMILES for 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile is COc1cc2[nH]c(Cc3ccccc3)c(C#N)c2cc1-c1cnco1.
What is the InChIKey of 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile?
The InChIKey is OMURDLKZQFOTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-24-19-9-18-14(8-15(19)20-11-22-12-25-20)16(10-21)17(23-18)7-13-5-3-2-4-6-13/h2-6,8-9,11-12,23H,7H2,1H3.
What are the key properties of 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile?
2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxy-5-(1,3-oxazol-5-yl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 22238495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).