5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine

C13H21ClN2O — CID 79555600

IUPAC5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine
SMILESCCCCC1CCC(c2onc(N)c2Cl)CC1
InChIInChI=1S/C13H21ClN2O/c1-2-3-4-9-5-7-10(8-6-9)12-11(14)13(15)16-17-12/h9-10H,2-8H2,1H3,(H2,15,16)
InChIKeyJMGVIXFHQUPGSJ-UHFFFAOYSA-N
MW256.78 g/mol
LogP4.37
Rot. Bonds4

About 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine

5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine (PubChem CID 79555600) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine
PubChem CID79555600
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine
SMILESCCCCC1CCC(c2onc(N)c2Cl)CC1
InChIInChI=1S/C13H21ClN2O/c1-2-3-4-9-5-7-10(8-6-9)12-11(14)13(15)16-17-12/h9-10H,2-8H2,1H3,(H2,15,16)
InChIKeyJMGVIXFHQUPGSJ-UHFFFAOYSA-N
XLogP4.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326434
2-(4-butylcyclohexyl)-5-chloro-1,3-benzoxazol-6-amine
CID 115539761
5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 18811364
2-(4-butylcyclohexyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43164921
4-(4-butylcyclohexyl)-6-chloropyrimidine
CID 121205634
3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
CID 3100638
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
hexane;pentylcyclopropane
CID 159592467
2-(4-butylcyclohexyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 43513173
2-[(4-butylcyclohexyl)methyl]oxirane
CID 174838553
4-(4-butylcyclohexyl)pyridine;ethane
CID 143311003
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine (CID 79555600) is 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine is CCCCC1CCC(c2onc(N)c2Cl)CC1.
What is the InChIKey of 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine?
The InChIKey is JMGVIXFHQUPGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-3-4-9-5-7-10(8-6-9)12-11(14)13(15)16-17-12/h9-10H,2-8H2,1H3,(H2,15,16).
What are the key properties of 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine?
5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine has a molecular weight of 256.78 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexyl)-4-chloro-1,2-oxazol-3-amine is sourced from PubChem (CID 79555600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).