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

C14H19ClN2OS — CID 91386226

IUPAC3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Cl)s2)N(C2CCCCCC2)O1
InChIInChI=1S/C14H19ClN2OS/c15-13-8-7-12(19-13)11-9-14(16)18-17(11)10-5-3-1-2-4-6-10/h7-10,14H,1-6,16H2
InChIKeyNVRWEKOCHFLQIL-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.00
Rot. Bonds2

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

3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine (PubChem CID 91386226) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
PubChem CID91386226
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Cl)s2)N(C2CCCCCC2)O1
InChIInChI=1S/C14H19ClN2OS/c15-13-8-7-12(19-13)11-9-14(16)18-17(11)10-5-3-1-2-4-6-10/h7-10,14H,1-6,16H2
InChIKeyNVRWEKOCHFLQIL-UHFFFAOYSA-N
XLogP4.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.00
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-tert-butyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90735249
2-butan-2-yl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90783493
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
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
3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91123984

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine (CID 91386226) is 3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine is NC1C=C(c2ccc(Cl)s2)N(C2CCCCCC2)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine?
The InChIKey is NVRWEKOCHFLQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c15-13-8-7-12(19-13)11-9-14(16)18-17(11)10-5-3-1-2-4-6-10/h7-10,14H,1-6,16H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine has a molecular weight of 298.84 g/mol, XLogP of 4.00, 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-cycloheptyl-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91386226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).