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

C15H22N2OS — CID 90792290

IUPAC2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1=CC(N)ON1C1CCCCCC1
InChIInChI=1S/C15H22N2OS/c1-11-8-9-19-15(11)13-10-14(16)18-17(13)12-6-4-2-3-5-7-12/h8-10,12,14H,2-7,16H2,1H3
InChIKeyBFWBKEAVHWBFBO-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.65
Rot. Bonds2

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

2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (PubChem CID 90792290) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
PubChem CID90792290
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1=CC(N)ON1C1CCCCCC1
InChIInChI=1S/C15H22N2OS/c1-11-8-9-19-15(11)13-10-14(16)18-17(13)12-6-4-2-3-5-7-12/h8-10,12,14H,2-7,16H2,1H3
InChIKeyBFWBKEAVHWBFBO-UHFFFAOYSA-N
XLogP3.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90693066
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90705322
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-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
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
2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91160388
2-cyclopentyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91236224

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (CID 90792290) is 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is Cc1ccsc1C1=CC(N)ON1C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The InChIKey is BFWBKEAVHWBFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-8-9-19-15(11)13-10-14(16)18-17(13)12-6-4-2-3-5-7-12/h8-10,12,14H,2-7,16H2,1H3.
What are the key properties of 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine has a molecular weight of 278.42 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 90792290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).