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

C20H17N5O — CID 510923

IUPAC6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile
SMILESCn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4CN)o3)cc21
InChIInChI=1S/C20H17N5O/c1-25-12-14(10-22)16-7-6-15(8-18(16)25)24-20-23-11-19(26-20)17-5-3-2-4-13(17)9-21/h2-8,11-12H,9,21H2,1H3,(H,23,24)
InChIKeyLFDQDCYGGJMWEF-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.91
Rot. Bonds4

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

6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile (PubChem CID 510923) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile
PubChem CID510923
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile
SMILESCn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4CN)o3)cc21
InChIInChI=1S/C20H17N5O/c1-25-12-14(10-22)16-7-6-15(8-18(16)25)24-20-23-11-19(26-20)17-5-3-2-4-13(17)9-21/h2-8,11-12H,9,21H2,1H3,(H,23,24)
InChIKeyLFDQDCYGGJMWEF-UHFFFAOYSA-N
XLogP3.91
TPSA92.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile?
The IUPAC name of 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile (CID 510923) is 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile.
What is the SMILES notation for 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile?
The canonical SMILES for 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile is Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4CN)o3)cc21.
What is the InChIKey of 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile?
The InChIKey is LFDQDCYGGJMWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-12-14(10-22)16-7-6-15(8-18(16)25)24-20-23-11-19(26-20)17-5-3-2-4-13(17)9-21/h2-8,11-12H,9,21H2,1H3,(H,23,24).
What are the key properties of 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile?
6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[2-(aminomethyl)phenyl]-1,3-oxazol-2-yl]amino]-1-methylindole-3-carbonitrile is sourced from PubChem (CID 510923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).