2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile

C14H10N4O — CID 106417712

IUPAC2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCc1ccno1
InChIInChI=1S/C14H10N4O/c15-8-11-7-10-3-1-2-4-13(10)18-14(11)16-9-12-5-6-17-19-12/h1-7H,9H2,(H,16,18)
InChIKeyDPTJTUOBMDEPPY-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.71
Rot. Bonds3

About 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile

2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile (PubChem CID 106417712) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile
PubChem CID106417712
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCc1ccno1
InChIInChI=1S/C14H10N4O/c15-8-11-7-10-3-1-2-4-13(10)18-14(11)16-9-12-5-6-17-19-12/h1-7H,9H2,(H,16,18)
InChIKeyDPTJTUOBMDEPPY-UHFFFAOYSA-N
XLogP2.71
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile (CID 106417712) is 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1NCc1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile?
The InChIKey is DPTJTUOBMDEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-8-11-7-10-3-1-2-4-13(10)18-14(11)16-9-12-5-6-17-19-12/h1-7H,9H2,(H,16,18).
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile?
2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 106417712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).