5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

C17H24N2OS — CID 66200785

IUPAC5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCC(C)(C)C1CCC(c2onc(N)c2-c2cccs2)CC1
InChIInChI=1S/C17H24N2OS/c1-17(2,3)12-8-6-11(7-9-12)15-14(16(18)19-20-15)13-5-4-10-21-13/h4-5,10-12H,6-9H2,1-3H3,(H2,18,19)
InChIKeyBMZXHCDYKZZREI-UHFFFAOYSA-N
MW304.46 g/mol
LogP5.31
Rot. Bonds2

About 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66200785) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66200785
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCC(C)(C)C1CCC(c2onc(N)c2-c2cccs2)CC1
InChIInChI=1S/C17H24N2OS/c1-17(2,3)12-8-6-11(7-9-12)15-14(16(18)19-20-15)13-5-4-10-21-13/h4-5,10-12H,6-9H2,1-3H3,(H2,18,19)
InChIKeyBMZXHCDYKZZREI-UHFFFAOYSA-N
XLogP5.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199156
5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200393
5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 82987307
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine
CID 66200107
4-thiophen-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66199989
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199576
5-cyclohexyl-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198368
5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199577
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198589
5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199378

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66200785) is 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is CC(C)(C)C1CCC(c2onc(N)c2-c2cccs2)CC1.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is BMZXHCDYKZZREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-17(2,3)12-8-6-11(7-9-12)15-14(16(18)19-20-15)13-5-4-10-21-13/h4-5,10-12H,6-9H2,1-3H3,(H2,18,19).
What are the key properties of 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 304.46 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).