2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile

C14H12FN3O — CID 139582687

IUPAC2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(C2CC2c2ccc(F)cc2)nc1C#N
InChIInChI=1S/C14H12FN3O/c1-17-14-12(7-16)18-13(19-14)11-6-10(11)8-2-4-9(15)5-3-8/h2-5,10-11,17H,6H2,1H3
InChIKeyUXKFATQMIYTUJM-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.00
Rot. Bonds3

About 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile

2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 139582687) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
PubChem CID139582687
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(C2CC2c2ccc(F)cc2)nc1C#N
InChIInChI=1S/C14H12FN3O/c1-17-14-12(7-16)18-13(19-14)11-6-10(11)8-2-4-9(15)5-3-8/h2-5,10-11,17H,6H2,1H3
InChIKeyUXKFATQMIYTUJM-UHFFFAOYSA-N
XLogP3.00
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile (CID 139582687) is 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile is CNc1oc(C2CC2c2ccc(F)cc2)nc1C#N.
What is the InChIKey of 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is UXKFATQMIYTUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-17-14-12(7-16)18-13(19-14)11-6-10(11)8-2-4-9(15)5-3-8/h2-5,10-11,17H,6H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile?
2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)cyclopropyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 139582687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).