3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile

C18H15N5O — CID 175417583

IUPAC3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile
SMILESCc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NN1C=COC1
InChIInChI=1S/C18H15N5O/c1-12-16(22-23-7-8-24-11-23)5-6-17(21-12)15-10-20-18-13(9-19)3-2-4-14(15)18/h2-8,10,20,22H,11H2,1H3
InChIKeyOIRIZKVZSQMPOU-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.50
Rot. Bonds3

About 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile

3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile (PubChem CID 175417583) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile
PubChem CID175417583
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile
SMILESCc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NN1C=COC1
InChIInChI=1S/C18H15N5O/c1-12-16(22-23-7-8-24-11-23)5-6-17(21-12)15-10-20-18-13(9-19)3-2-4-14(15)18/h2-8,10,20,22H,11H2,1H3
InChIKeyOIRIZKVZSQMPOU-UHFFFAOYSA-N
XLogP3.50
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile?
The IUPAC name of 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile (CID 175417583) is 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile?
The canonical SMILES for 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile is Cc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NN1C=COC1.
What is the InChIKey of 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile?
The InChIKey is OIRIZKVZSQMPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-16(22-23-7-8-24-11-23)5-6-17(21-12)15-10-20-18-13(9-19)3-2-4-14(15)18/h2-8,10,20,22H,11H2,1H3.
What are the key properties of 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile?
3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 175417583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).