3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine

C15H13ClN2O2S — CID 80645079

IUPAC3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2c(-c3sccc3Cl)noc2N)cc1
InChIInChI=1S/C15H13ClN2O2S/c1-2-19-10-5-3-9(4-6-10)12-13(18-20-15(12)17)14-11(16)7-8-21-14/h3-8H,2,17H2,1H3
InChIKeyCHIRBYJCZWGXMD-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.70
Rot. Bonds4

About 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine

3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 80645079) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID80645079
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
SMILESCCOc1ccc(-c2c(-c3sccc3Cl)noc2N)cc1
InChIInChI=1S/C15H13ClN2O2S/c1-2-19-10-5-3-9(4-6-10)12-13(18-20-15(12)17)14-11(16)7-8-21-14/h3-8H,2,17H2,1H3
InChIKeyCHIRBYJCZWGXMD-UHFFFAOYSA-N
XLogP4.70
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine
CID 80645292
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122721
3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 63798656
4-(1,3-benzodioxol-5-yl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645078
3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 80645378
4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972766
3-(3-methoxythiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 81121771
4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 43336169
4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80644994
4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645373
4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62677870

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine (CID 80645079) is 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine is CCOc1ccc(-c2c(-c3sccc3Cl)noc2N)cc1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is CHIRBYJCZWGXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-2-19-10-5-3-9(4-6-10)12-13(18-20-15(12)17)14-11(16)7-8-21-14/h3-8H,2,17H2,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine?
3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 320.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 80645079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).