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

C14H11ClN2O2S — CID 80644237

IUPAC3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3sccc3Cl)noc2N)c1
InChIInChI=1S/C14H11ClN2O2S/c1-18-9-4-2-3-8(7-9)11-12(17-19-14(11)16)13-10(15)5-6-20-13/h2-7H,16H2,1H3
InChIKeyDVOXHYNQWXDOJG-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.31
Rot. Bonds3

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

3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 80644237) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID80644237
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3sccc3Cl)noc2N)c1
InChIInChI=1S/C14H11ClN2O2S/c1-18-9-4-2-3-8(7-9)11-12(17-19-14(11)16)13-10(15)5-6-20-13/h2-7H,16H2,1H3
InChIKeyDVOXHYNQWXDOJG-UHFFFAOYSA-N
XLogP4.31
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.31
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-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122721
3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
CID 80645079
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80644815
4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80644994
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263311
4-(1,3-benzodioxol-5-yl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645078
4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 62831172
4-(2-chloro-6-fluorophenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645373

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (CID 80644237) is 3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is COc1cccc(-c2c(-c3sccc3Cl)noc2N)c1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is DVOXHYNQWXDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-18-9-4-2-3-8(7-9)11-12(17-19-14(11)16)13-10(15)5-6-20-13/h2-7H,16H2,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 306.77 g/mol, XLogP of 4.31, 3 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-(3-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 80644237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).