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

C14H19BrN2OS — CID 91123984

IUPAC3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Br)s2)N(C2CCCCCC2)O1
InChIInChI=1S/C14H19BrN2OS/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
InChIKeyKFWVULUVTKWUME-UHFFFAOYSA-N
MW343.29 g/mol
LogP4.11
Rot. Bonds2

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

3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine (PubChem CID 91123984) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
PubChem CID91123984
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Br)s2)N(C2CCCCCC2)O1
InChIInChI=1S/C14H19BrN2OS/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
InChIKeyKFWVULUVTKWUME-UHFFFAOYSA-N
XLogP4.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 54.11
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-Bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 90725443
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
2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90792290
2-cyclopentyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90821453
3-(5-bromothiophen-2-yl)-N-methyl-2,5-dihydro-1,2-oxazol-5-amine
CID 90926856
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine (CID 91123984) is 3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine is NC1C=C(c2ccc(Br)s2)N(C2CCCCCC2)O1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine?
The InChIKey is KFWVULUVTKWUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/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-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine has a molecular weight of 343.29 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91123984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).