N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine

C16H31N3O — CID 62436417

IUPACN,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine
SMILESCCC(CC)CN(CC)Cc1cc(CNC(C)C)no1
InChIInChI=1S/C16H31N3O/c1-6-14(7-2)11-19(8-3)12-16-9-15(18-20-16)10-17-13(4)5/h9,13-14,17H,6-8,10-12H2,1-5H3
InChIKeyNBPVTJYOWSWXLT-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.43
Rot. Bonds10

About N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine

N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine (PubChem CID 62436417) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine
PubChem CID62436417
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine
SMILESCCC(CC)CN(CC)Cc1cc(CNC(C)C)no1
InChIInChI=1S/C16H31N3O/c1-6-14(7-2)11-19(8-3)12-16-9-15(18-20-16)10-17-13(4)5/h9,13-14,17H,6-8,10-12H2,1-5H3
InChIKeyNBPVTJYOWSWXLT-UHFFFAOYSA-N
XLogP3.43
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62436234
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62426086
N-[[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63691252
N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62423371
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
CID 62423206
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63656925
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62427668
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]propane-1,3-diamine
CID 55227948
4-ethyl-N-methyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]aniline
CID 62434937
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489
N-[[5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 82952558
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine (CID 62436417) is N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine is CCC(CC)CN(CC)Cc1cc(CNC(C)C)no1.
What is the InChIKey of N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine?
The InChIKey is NBPVTJYOWSWXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-14(7-2)11-19(8-3)12-16-9-15(18-20-16)10-17-13(4)5/h9,13-14,17H,6-8,10-12H2,1-5H3.
What are the key properties of N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine?
N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 62436417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).