5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C9H19N3O — CID 13313620

IUPAC5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCCCN(C)CC1CN=C(N)O1
InChIInChI=1S/C9H19N3O/c1-3-4-5-12(2)7-8-6-11-9(10)13-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeySBDCYEREDFDKLA-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds5

About 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 13313620) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID13313620
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCCCN(C)CC1CN=C(N)O1
InChIInChI=1S/C9H19N3O/c1-3-4-5-12(2)7-8-6-11-9(10)13-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeySBDCYEREDFDKLA-UHFFFAOYSA-N
XLogP0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Piperidinylmethyl)-1,3-oxazolidin-2-imine
CID 385578
5-(Pyrrolidin-1-ylmethyl)oxazolidin-2-imine
CID 387534
2-Amino-5-diethylaminomethyl-2-oxazoline
CID 395856
5-[(Dimethylamino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 396439
5-[(4-Methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 13364974
5-(Azepan-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 13634072
N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine
CID 23261376
2-Amino-5-diisopropylaminomethyl-2-oxazoline
CID 23273884
5-[(2,6-Dimethylmorpholin-4-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 23274081
(5R)-5-(piperidin-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 92341264
(5S)-5-(piperidin-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 92341265

Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 13313620) is 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCCCN(C)CC1CN=C(N)O1.
What is the InChIKey of 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is SBDCYEREDFDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-4-5-12(2)7-8-6-11-9(10)13-8/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 185.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(methyl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 13313620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).