4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine

C15H11Cl2N3O — CID 106753207

IUPAC4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C15H11Cl2N3O/c1-8-6-10(4-5-19-8)14-13(15(18)21-20-14)9-2-3-11(16)12(17)7-9/h2-7H,18H2,1H3
InChIKeyUHFUHKOZZKEQGL-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.60
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine

4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine (PubChem CID 106753207) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
PubChem CID106753207
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C15H11Cl2N3O/c1-8-6-10(4-5-19-8)14-13(15(18)21-20-14)9-2-3-11(16)12(17)7-9/h2-7H,18H2,1H3
InChIKeyUHFUHKOZZKEQGL-UHFFFAOYSA-N
XLogP4.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-4-pyridinyl)-4-phenyl-1,2-oxazol-5-amine
CID 106753190
4-(2,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753195
4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670785
4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104786016
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 81291675
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 81294873
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122721
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 114821364
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine (CID 106753207) is 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2ccc(Cl)c(Cl)c2)ccn1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine?
The InChIKey is UHFUHKOZZKEQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-8-6-10(4-5-19-8)14-13(15(18)21-20-14)9-2-3-11(16)12(17)7-9/h2-7H,18H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine?
4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine has a molecular weight of 320.18 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 106753207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).