3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline

C15H14N2OS — CID 62089304

IUPAC3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1cccc(-c2cnco2)c1)c1ccsc1
InChIInChI=1S/C15H14N2OS/c1-11(13-5-6-19-9-13)17-14-4-2-3-12(7-14)15-8-16-10-18-15/h2-11,17H,1H3
InChIKeyZCSFRXKSKPTPQL-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.58
Rot. Bonds4

About 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline

3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 62089304) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline
PubChem CID62089304
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline
SMILESCC(Nc1cccc(-c2cnco2)c1)c1ccsc1
InChIInChI=1S/C15H14N2OS/c1-11(13-5-6-19-9-13)17-14-4-2-3-12(7-14)15-8-16-10-18-15/h2-11,17H,1H3
InChIKeyZCSFRXKSKPTPQL-UHFFFAOYSA-N
XLogP4.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-Oxazol-5-yl)aniline
CID 2739289
N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
CID 4789558
5-(4-Fluorophenyl)-2-thiophen-2-yloxazole
CID 856373
(E)-N-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-thiophen-2-yl-acrylamide
CID 22058498
3-methoxy-4-oxazol-5-yl-N-(2-thienylmethyl)aniline
CID 71736826
N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 56601742
Thiophene-2-carboxylic acid (3-methoxy-4-oxazol-5-yl-phenyl)-amide
CID 44329808
2-methoxy-5-oxazol-5-yl-N-(2-thienylmethyl)aniline
CID 73347890
2-methoxy-N-[(5-methyl-2-thienyl)methyl]-5-oxazol-5-yl-aniline
CID 73353928
3-methoxy-4-oxazol-5-yl-N-(3-thienylmethyl)aniline
CID 73353931
5-Phenyl-2-(thiophen-2-YL)oxazole
CID 4303653
2,6-Difluoro-N-[5-(3-oxazol-5-yl-phenyl)-thiophen-2-yl]-benzamide
CID 58703376

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline (CID 62089304) is 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline is CC(Nc1cccc(-c2cnco2)c1)c1ccsc1.
What is the InChIKey of 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is ZCSFRXKSKPTPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11(13-5-6-19-9-13)17-14-4-2-3-12(7-14)15-8-16-10-18-15/h2-11,17H,1H3.
What are the key properties of 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline?
3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 270.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 62089304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).