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

C14H12N2O2S — CID 66200367

IUPAC4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCOc1ccccc1-c1c(N)noc1-c1cccs1
InChIInChI=1S/C14H12N2O2S/c1-17-10-6-3-2-5-9(10)12-13(18-16-14(12)15)11-7-4-8-19-11/h2-8H,1H3,(H2,15,16)
InChIKeyWHHNLAAGKGCOLE-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.66
Rot. Bonds3

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

4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66200367) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66200367
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCOc1ccccc1-c1c(N)noc1-c1cccs1
InChIInChI=1S/C14H12N2O2S/c1-17-10-6-3-2-5-9(10)12-13(18-16-14(12)15)11-7-4-8-19-11/h2-8H,1H3,(H2,15,16)
InChIKeyWHHNLAAGKGCOLE-UHFFFAOYSA-N
XLogP3.66
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine (CID 66200367) is 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine is COc1ccccc1-c1c(N)noc1-c1cccs1.
What is the InChIKey of 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is WHHNLAAGKGCOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-10-6-3-2-5-9(10)12-13(18-16-14(12)15)11-7-4-8-19-11/h2-8H,1H3,(H2,15,16).
What are the key properties of 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine?
4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 272.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).