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

C11H20N2O — CID 106224130

IUPAC1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine
SMILESCCCCc1cc(C(N)CCC)on1
InChIInChI=1S/C11H20N2O/c1-3-5-7-9-8-11(14-13-9)10(12)6-4-2/h8,10H,3-7,12H2,1-2H3
InChIKeyPTZKMBGOZXSDCK-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.82
Rot. Bonds6

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

1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine (PubChem CID 106224130) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine
PubChem CID106224130
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine
SMILESCCCCc1cc(C(N)CCC)on1
InChIInChI=1S/C11H20N2O/c1-3-5-7-9-8-11(14-13-9)10(12)6-4-2/h8,10H,3-7,12H2,1-2H3
InChIKeyPTZKMBGOZXSDCK-UHFFFAOYSA-N
XLogP2.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-butyl-1,2-oxazol-5-yl)ethanamine
CID 114420285
3-butyl-5-methyl-1,2-oxazole
CID 19872036
1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine
CID 114160497
3-octyl-1,2-oxazol-5-amine
CID 65427877
(3-butyl-1,2-oxazol-5-yl)methanol
CID 12045691
3,5-dipentyl-1,2-oxazole
CID 66668490
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224128
(5-pentan-2-yl-1,2-oxazol-3-yl)methanol
CID 170283144
1-[3-(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224350
1-[3-(5-bromo-2-fluorophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160485
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528

Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine?
The IUPAC name of 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine (CID 106224130) is 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine.
What is the SMILES notation for 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine?
The canonical SMILES for 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine is CCCCc1cc(C(N)CCC)on1.
What is the InChIKey of 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine?
The InChIKey is PTZKMBGOZXSDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-7-9-8-11(14-13-9)10(12)6-4-2/h8,10H,3-7,12H2,1-2H3.
What are the key properties of 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine?
1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-1,2-oxazol-5-yl)butan-1-amine is sourced from PubChem (CID 106224130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).