1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile

C19H14N4O — CID 510918

IUPAC1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile
SMILESCn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4)o3)cc21
InChIInChI=1S/C19H14N4O/c1-23-12-14(10-20)16-8-7-15(9-17(16)23)22-19-21-11-18(24-19)13-5-3-2-4-6-13/h2-9,11-12H,1H3,(H,21,22)
InChIKeyLBJPVPNHTJAPJX-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.45
Rot. Bonds3

About 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile

1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile (PubChem CID 510918) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile
PubChem CID510918
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile
SMILESCn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4)o3)cc21
InChIInChI=1S/C19H14N4O/c1-23-12-14(10-20)16-8-7-15(9-17(16)23)22-19-21-11-18(24-19)13-5-3-2-4-6-13/h2-9,11-12H,1H3,(H,21,22)
InChIKeyLBJPVPNHTJAPJX-UHFFFAOYSA-N
XLogP4.45
TPSA66.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile?
The IUPAC name of 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile (CID 510918) is 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile.
What is the SMILES notation for 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile?
The canonical SMILES for 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile is Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4)o3)cc21.
What is the InChIKey of 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile?
The InChIKey is LBJPVPNHTJAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c1-23-12-14(10-20)16-8-7-15(9-17(16)23)22-19-21-11-18(24-19)13-5-3-2-4-6-13/h2-9,11-12H,1H3,(H,21,22).
What are the key properties of 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile?
1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile has a molecular weight of 314.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(5-phenyl-1,3-oxazol-2-yl)amino]indole-3-carbonitrile is sourced from PubChem (CID 510918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).