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

C14H9Cl2N3O — CID 66199955

IUPAC4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccncc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O/c15-9-1-2-10(11(16)7-9)12-13(20-19-14(12)17)8-3-5-18-6-4-8/h1-7H,(H2,17,19)
InChIKeyVFWADKISNJDSMK-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.29
Rot. Bonds2

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

4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 66199955) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID66199955
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccncc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O/c15-9-1-2-10(11(16)7-9)12-13(20-19-14(12)17)8-3-5-18-6-4-8/h1-7H,(H2,17,19)
InChIKeyVFWADKISNJDSMK-UHFFFAOYSA-N
XLogP4.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66200150
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200957
4-(2,4-dichlorophenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
CID 66200956
5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555967
5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954872
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
5-(2,4-dichlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 702922
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
5-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199951
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine (CID 66199955) is 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccncc2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is VFWADKISNJDSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-1-2-10(11(16)7-9)12-13(20-19-14(12)17)8-3-5-18-6-4-8/h1-7H,(H2,17,19).
What are the key properties of 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine?
4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine has a molecular weight of 306.15 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).