5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine

C14H10Cl2N2O2S — CID 107967198

IUPAC5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2c(N)noc2-c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S/c1-19-8-4-2-3-7(5-8)11-12(20-18-14(11)17)9-6-10(15)21-13(9)16/h2-6H,1H3,(H2,17,18)
InChIKeyKTMBGHRNCZVDAJ-UHFFFAOYSA-N
MW341.22 g/mol
LogP4.97
Rot. Bonds3

About 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine

5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 107967198) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID107967198
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2c(N)noc2-c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S/c1-19-8-4-2-3-7(5-8)11-12(20-18-14(11)17)9-6-10(15)21-13(9)16/h2-6H,1H3,(H2,17,18)
InChIKeyKTMBGHRNCZVDAJ-UHFFFAOYSA-N
XLogP4.97
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dichlorothiophen-3-yl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 18270223
4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198897
4-(2-chloro-4-fluorophenyl)-5-(2,5-dichlorothiophen-3-yl)-1,2-oxazol-3-amine
CID 107967195
5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 114249586
5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198750
4-(3-methoxyphenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66200696
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
CID 105064768
5-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522616
5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200884
5-(5-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198080
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine (CID 107967198) is 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine is COc1cccc(-c2c(N)noc2-c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is KTMBGHRNCZVDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-19-8-4-2-3-7(5-8)11-12(20-18-14(11)17)9-6-10(15)21-13(9)16/h2-6H,1H3,(H2,17,18).
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine?
5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 341.22 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 107967198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).