2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile

C16H11N5O — CID 66706210

IUPAC2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1Cc2nc(-c3ccccn3)oc2C1
InChIInChI=1S/C16H11N5O/c17-8-11-4-3-7-19-15(11)21-9-13-14(10-21)22-16(20-13)12-5-1-2-6-18-12/h1-7H,9-10H2
InChIKeySZAREHATKXFAJP-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.52
Rot. Bonds2

About 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile

2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile (PubChem CID 66706210) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile
PubChem CID66706210
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1Cc2nc(-c3ccccn3)oc2C1
InChIInChI=1S/C16H11N5O/c17-8-11-4-3-7-19-15(11)21-9-13-14(10-21)22-16(20-13)12-5-1-2-6-18-12/h1-7H,9-10H2
InChIKeySZAREHATKXFAJP-UHFFFAOYSA-N
XLogP2.52
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile (CID 66706210) is 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1Cc2nc(-c3ccccn3)oc2C1.
What is the InChIKey of 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is SZAREHATKXFAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c17-8-11-4-3-7-19-15(11)21-9-13-14(10-21)22-16(20-13)12-5-1-2-6-18-12/h1-7H,9-10H2.
What are the key properties of 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile?
2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 289.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 66706210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).