5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile

C19H18N6O — CID 56645831

IUPAC5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
SMILESCc1cc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)on1
InChIInChI=1S/C19H18N6O/c1-13-10-18(26-24-13)23-19-21-7-6-16(22-19)14-4-5-17(15(11-14)12-20)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,23)
InChIKeyOAVPIWRPMVOZMH-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.66
Rot. Bonds4

About 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile

5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile (PubChem CID 56645831) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile.

Molecular Properties

Compound Name5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
PubChem CID56645831
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
SMILESCc1cc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)on1
InChIInChI=1S/C19H18N6O/c1-13-10-18(26-24-13)23-19-21-7-6-16(22-19)14-4-5-17(15(11-14)12-20)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,23)
InChIKeyOAVPIWRPMVOZMH-UHFFFAOYSA-N
XLogP3.66
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The IUPAC name of 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile (CID 56645831) is 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile.
What is the SMILES notation for 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The canonical SMILES for 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile is Cc1cc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)on1.
What is the InChIKey of 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The InChIKey is OAVPIWRPMVOZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-10-18(26-24-13)23-19-21-7-6-16(22-19)14-4-5-17(15(11-14)12-20)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,23).
What are the key properties of 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-methyl-1,2-oxazol-5-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile is sourced from PubChem (CID 56645831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).