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

C14H10Cl2N2OS — CID 43335989

IUPAC4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H10Cl2N2OS/c1-7-2-5-11(20-7)13-12(14(17)19-18-13)9-4-3-8(15)6-10(9)16/h2-6H,17H2,1H3
InChIKeyOAXKJWZZEKFUBK-UHFFFAOYSA-N
MW325.22 g/mol
LogP5.27
Rot. Bonds2

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

4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 43335989) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID43335989
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2noc(N)c2-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H10Cl2N2OS/c1-7-2-5-11(20-7)13-12(14(17)19-18-13)9-4-3-8(15)6-10(9)16/h2-6H,17H2,1H3
InChIKeyOAXKJWZZEKFUBK-UHFFFAOYSA-N
XLogP5.27
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.22
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-3-(2,5-dimethylfuran-3-yl)-1,2-oxazol-5-amine
CID 43335963
4-(2,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753195
4-(2,4-dichlorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 43335962
3-(5-bromo-4-methylthiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 79977841
4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 62276503
4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine
CID 82989478
3-(2-bromo-4-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 107988958
3-(5-bromothiophen-2-yl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157978
4-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 63036543
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969
4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 65239414
3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine
CID 82366103

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine (CID 43335989) is 4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine is Cc1ccc(-c2noc(N)c2-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is OAXKJWZZEKFUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-7-2-5-11(20-7)13-12(14(17)19-18-13)9-4-3-8(15)6-10(9)16/h2-6H,17H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine?
4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 325.22 g/mol, XLogP of 5.27, 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)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).