N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine

C13H24N2O — CID 115888090

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(CC)c1c(C)noc1C
InChIInChI=1S/C13H24N2O/c1-6-9(3)8-14-12(7-2)13-10(4)15-16-11(13)5/h9,12,14H,6-8H2,1-5H3
InChIKeyYUTYVVOQCGJDQZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine (PubChem CID 115888090) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine
PubChem CID115888090
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(CC)c1c(C)noc1C
InChIInChI=1S/C13H24N2O/c1-6-9(3)8-14-12(7-2)13-10(4)15-16-11(13)5/h9,12,14H,6-8H2,1-5H3
InChIKeyYUTYVVOQCGJDQZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 75441563
2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol
CID 99703169
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine
CID 115896742
1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
CID 79040582
2-[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]propyl]phenol
CID 102561803
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133462111
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 97107504
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 75515443
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-oxoethyl]benzoic acid
CID 120699128
3-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]methyl]-N,N-dimethylbenzamide
CID 75521406
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871685

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine (CID 115888090) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine is CCC(C)CNC(CC)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine?
The InChIKey is YUTYVVOQCGJDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-6-9(3)8-14-12(7-2)13-10(4)15-16-11(13)5/h9,12,14H,6-8H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine is sourced from PubChem (CID 115888090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).