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

C14H12N2O2S — CID 55079639

IUPAC3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2noc(N)c2-c2cccs2)c1
InChIInChI=1S/C14H12N2O2S/c1-17-10-5-2-4-9(8-10)13-12(14(15)18-16-13)11-6-3-7-19-11/h2-8H,15H2,1H3
InChIKeyCWRWFDQAJAKVAP-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.66
Rot. Bonds3

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

3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 55079639) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID55079639
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2noc(N)c2-c2cccs2)c1
InChIInChI=1S/C14H12N2O2S/c1-17-10-5-2-4-9(8-10)13-12(14(15)18-16-13)11-6-3-7-19-11/h2-8H,15H2,1H3
InChIKeyCWRWFDQAJAKVAP-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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Related Compounds

3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62501563
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237
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
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
3-(3,5-dibromophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 107972780
3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104853233
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500702
3-(3-methoxyphenyl)thieno[2,3-d][1,2]oxazole
CID 14097241
5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200393
3-(5-fluoro-3-pyridinyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104786017

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 55079639) is 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is COc1cccc(-c2noc(N)c2-c2cccs2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is CWRWFDQAJAKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-10-5-2-4-9(8-10)13-12(14(15)18-16-13)11-6-3-7-19-11/h2-8H,15H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-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 3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 55079639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).