N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine

C10H16N2O — CID 106371299

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1ncc(CC)o1
InChIInChI=1S/C10H16N2O/c1-4-9-6-12-10(13-9)7-11-5-8(2)3/h6,11H,2,4-5,7H2,1,3H3
InChIKeyMRIXAKKLTYMUOU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.90
Rot. Bonds5

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 106371299) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
PubChem CID106371299
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1ncc(CC)o1
InChIInChI=1S/C10H16N2O/c1-4-9-6-12-10(13-9)7-11-5-8(2)3/h6,11H,2,4-5,7H2,1,3H3
InChIKeyMRIXAKKLTYMUOU-UHFFFAOYSA-N
XLogP1.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106371331
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylacetamide
CID 106371047
N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106371540
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylethanone
CID 114180248
2-ethyl-2-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]butan-1-ol
CID 114179967
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 106371334

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine (CID 106371299) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine is C=C(C)CNCc1ncc(CC)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is MRIXAKKLTYMUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9-6-12-10(13-9)7-11-5-8(2)3/h6,11H,2,4-5,7H2,1,3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106371299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).