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

C14H20N2OS — CID 91554466

IUPAC2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1=CC(N)ON1C1CCCCC1
InChIInChI=1S/C14H20N2OS/c1-10-7-8-18-14(10)12-9-13(15)17-16(12)11-5-3-2-4-6-11/h7-9,11,13H,2-6,15H2,1H3
InChIKeyJBBYFHQWKPQPTM-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.26
Rot. Bonds2

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

2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (PubChem CID 91554466) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
PubChem CID91554466
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1=CC(N)ON1C1CCCCC1
InChIInChI=1S/C14H20N2OS/c1-10-7-8-18-14(10)12-9-13(15)17-16(12)11-5-3-2-4-6-11/h7-9,11,13H,2-6,15H2,1H3
InChIKeyJBBYFHQWKPQPTM-UHFFFAOYSA-N
XLogP3.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063401
2-[(3-fluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154397935
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-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
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (CID 91554466) is 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is Cc1ccsc1C1=CC(N)ON1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The InChIKey is JBBYFHQWKPQPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-7-8-18-14(10)12-9-13(15)17-16(12)11-5-3-2-4-6-11/h7-9,11,13H,2-6,15H2,1H3.
What are the key properties of 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine has a molecular weight of 264.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91554466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).