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

C20H16N4O — CID 510920

IUPAC1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile
SMILESCc1cccc(-c2cnc(Nc3ccc4c(C#N)cn(C)c4c3)o2)c1
InChIInChI=1S/C20H16N4O/c1-13-4-3-5-14(8-13)19-11-22-20(25-19)23-16-6-7-17-15(10-21)12-24(2)18(17)9-16/h3-9,11-12H,1-2H3,(H,22,23)
InChIKeyCYDFCIPXVXSAHP-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.76
Rot. Bonds3

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

1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile (PubChem CID 510920) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile
PubChem CID510920
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile
SMILESCc1cccc(-c2cnc(Nc3ccc4c(C#N)cn(C)c4c3)o2)c1
InChIInChI=1S/C20H16N4O/c1-13-4-3-5-14(8-13)19-11-22-20(25-19)23-16-6-7-17-15(10-21)12-24(2)18(17)9-16/h3-9,11-12H,1-2H3,(H,22,23)
InChIKeyCYDFCIPXVXSAHP-UHFFFAOYSA-N
XLogP4.76
TPSA66.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.76
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-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile?
The IUPAC name of 1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile (CID 510920) is 1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile.
What is the SMILES notation for 1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile?
The canonical SMILES for 1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile is Cc1cccc(-c2cnc(Nc3ccc4c(C#N)cn(C)c4c3)o2)c1.
What is the InChIKey of 1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile?
The InChIKey is CYDFCIPXVXSAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-4-3-5-14(8-13)19-11-22-20(25-19)23-16-6-7-17-15(10-21)12-24(2)18(17)9-16/h3-9,11-12H,1-2H3,(H,22,23).
What are the key properties of 1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile?
1-methyl-6-[[5-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile has a molecular weight of 328.38 g/mol, XLogP of 4.76, 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-(3-methylphenyl)-1,3-oxazol-2-yl]amino]indole-3-carbonitrile is sourced from PubChem (CID 510920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).