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

C14H24N2O — CID 114160497

IUPAC1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine
SMILESCCCC(N)c1cc(C2CCCCCC2)no1
InChIInChI=1S/C14H24N2O/c1-2-7-12(15)14-10-13(16-17-14)11-8-5-3-4-6-9-11/h10-12H,2-9,15H2,1H3
InChIKeyNZHSXDAZLJFBOU-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.91
Rot. Bonds4

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

1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine (PubChem CID 114160497) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine
PubChem CID114160497
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine
SMILESCCCC(N)c1cc(C2CCCCCC2)no1
InChIInChI=1S/C14H24N2O/c1-2-7-12(15)14-10-13(16-17-14)11-8-5-3-4-6-9-11/h10-12H,2-9,15H2,1H3
InChIKeyNZHSXDAZLJFBOU-UHFFFAOYSA-N
XLogP3.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine
CID 106224130
1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine
CID 114420326
5-chloro-3-cyclopentyl-1,2-oxazole
CID 80645479
3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 154245938
2-(3-cyclopentyl-1,2-oxazol-5-yl)ethanamine
CID 82408902
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65222397
(1S)-1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565376
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63319216
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388
3-(1-chlorobutyl)-5-cycloheptyl-1,2,4-oxadiazole
CID 103095789

Frequently Asked Questions

What is the IUPAC name of 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine?
The IUPAC name of 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine (CID 114160497) is 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine.
What is the SMILES notation for 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine?
The canonical SMILES for 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine is CCCC(N)c1cc(C2CCCCCC2)no1.
What is the InChIKey of 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine?
The InChIKey is NZHSXDAZLJFBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-7-12(15)14-10-13(16-17-14)11-8-5-3-4-6-9-11/h10-12H,2-9,15H2,1H3.
What are the key properties of 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine?
1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine is sourced from PubChem (CID 114160497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).