2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline

C14H11ClN2OS — CID 155271382

IUPAC2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline
SMILESCc1oncc1-c1ccc(-c2ccc(Cl)s2)c(N)c1
InChIInChI=1S/C14H11ClN2OS/c1-8-11(7-17-18-8)9-2-3-10(12(16)6-9)13-4-5-14(15)19-13/h2-7H,16H2,1H3
InChIKeyYZVGYZWVCRJQAF-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.61
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline

2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline (PubChem CID 155271382) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline
PubChem CID155271382
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline
SMILESCc1oncc1-c1ccc(-c2ccc(Cl)s2)c(N)c1
InChIInChI=1S/C14H11ClN2OS/c1-8-11(7-17-18-8)9-2-3-10(12(16)6-9)13-4-5-14(15)19-13/h2-7H,16H2,1H3
InChIKeyYZVGYZWVCRJQAF-UHFFFAOYSA-N
XLogP4.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline (CID 155271382) is 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline is Cc1oncc1-c1ccc(-c2ccc(Cl)s2)c(N)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline?
The InChIKey is YZVGYZWVCRJQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-11(7-17-18-8)9-2-3-10(12(16)6-9)13-4-5-14(15)19-13/h2-7H,16H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline?
2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline has a molecular weight of 290.78 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-(5-methyl-1,2-oxazol-4-yl)aniline is sourced from PubChem (CID 155271382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).