3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine

C13H17ClN2OS — CID 90815879

IUPAC3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Cl)s2)N(C2CCCCC2)O1
InChIInChI=1S/C13H17ClN2OS/c14-12-7-6-11(18-12)10-8-13(15)17-16(10)9-4-2-1-3-5-9/h6-9,13H,1-5,15H2
InChIKeyFFBWKOOLPFYFMN-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.61
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine

3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine (PubChem CID 90815879) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
PubChem CID90815879
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Cl)s2)N(C2CCCCC2)O1
InChIInChI=1S/C13H17ClN2OS/c14-12-7-6-11(18-12)10-8-13(15)17-16(10)9-4-2-1-3-5-9/h6-9,13H,1-5,15H2
InChIKeyFFBWKOOLPFYFMN-UHFFFAOYSA-N
XLogP3.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90705322
3-(5-chlorothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
2-butan-2-yl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90783493
2-cyclopentyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90821453
2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90930757
2-cycloheptyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90956020
2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90981074
3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
CID 91001426
2-cyclohexyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91033195
2-butan-2-yl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91296324
3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91386226
2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91449845

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine (CID 90815879) is 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine is NC1C=C(c2ccc(Cl)s2)N(C2CCCCC2)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine?
The InChIKey is FFBWKOOLPFYFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-12-7-6-11(18-12)10-8-13(15)17-16(10)9-4-2-1-3-5-9/h6-9,13H,1-5,15H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine has a molecular weight of 284.81 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 90815879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).