4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine

C13H8Cl2N4O — CID 114552818

IUPAC4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ncccn2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl2N4O/c14-7-3-1-4-8(15)9(7)10-11(19-20-12(10)16)13-17-5-2-6-18-13/h1-6H,16H2
InChIKeyOKIZDTUANCKCMC-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.69
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine

4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine (PubChem CID 114552818) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
PubChem CID114552818
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ncccn2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl2N4O/c14-7-3-1-4-8(15)9(7)10-11(19-20-12(10)16)13-17-5-2-6-18-13/h1-6H,16H2
InChIKeyOKIZDTUANCKCMC-UHFFFAOYSA-N
XLogP3.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43335540
4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
CID 43335560
4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972739
4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552823
4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 65239414
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645373
3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
3-(5-bromofuran-2-yl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335681

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine (CID 114552818) is 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2ncccn2)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine?
The InChIKey is OKIZDTUANCKCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-7-3-1-4-8(15)9(7)10-11(19-20-12(10)16)13-17-5-2-6-18-13/h1-6H,16H2.
What are the key properties of 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine?
4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine has a molecular weight of 307.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 114552818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).