3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine

C13H8ClFN4O — CID 67197115

IUPAC3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)c(Cl)c2)c1-c1ccncn1
InChIInChI=1S/C13H8ClFN4O/c14-8-5-7(1-2-9(8)15)12-11(13(16)20-19-12)10-3-4-17-6-18-10/h1-6H,16H2
InChIKeySPCMFKTVDNEMND-UHFFFAOYSA-N
MW290.69 g/mol
LogP3.17
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine

3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine (PubChem CID 67197115) has the molecular formula C13H8ClFN4O and a molecular weight of 290.69 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
PubChem CID67197115
Molecular FormulaC13H8ClFN4O
Molecular Weight290.69 g/mol
Exact Mass290.04
IUPAC Name3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(F)c(Cl)c2)c1-c1ccncn1
InChIInChI=1S/C13H8ClFN4O/c14-8-5-7(1-2-9(8)15)12-11(13(16)20-19-12)10-3-4-17-6-18-10/h1-6H,16H2
InChIKeySPCMFKTVDNEMND-UHFFFAOYSA-N
XLogP3.17
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine (CID 67197115) is 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(F)c(Cl)c2)c1-c1ccncn1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The InChIKey is SPCMFKTVDNEMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4O/c14-8-5-7(1-2-9(8)15)12-11(13(16)20-19-12)10-3-4-17-6-18-10/h1-6H,16H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine has a molecular weight of 290.69 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 67197115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).