N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine

C9H15BrN2O — CID 13312712

IUPACN-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1onc(C)c1Br
InChIInChI=1S/C9H15BrN2O/c1-4-12(5-2)6-8-9(10)7(3)11-13-8/h4-6H2,1-3H3
InChIKeyISGXPKFZIFDBSD-UHFFFAOYSA-N
MW247.14 g/mol
LogP2.59
Rot. Bonds4

About N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine

N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine (PubChem CID 13312712) has the molecular formula C9H15BrN2O and a molecular weight of 247.14 g/mol. Its IUPAC name is N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine
PubChem CID13312712
Molecular FormulaC9H15BrN2O
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC NameN-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1onc(C)c1Br
InChIInChI=1S/C9H15BrN2O/c1-4-12(5-2)6-8-9(10)7(3)11-13-8/h4-6H2,1-3H3
InChIKeyISGXPKFZIFDBSD-UHFFFAOYSA-N
XLogP2.59
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl-diethyl-methylazanium bromide
CID 44783854
N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-2-hydroxy-N-methylethanesulfonamide
CID 166377149
5-(bromomethyl)-4-chloro-3-methyl-1,2-oxazole
CID 13228133
4-bromo-5-tert-butyl-3-methyl-1,2-oxazole
CID 135170621
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-ethylamino]acetic acid
CID 61011467
N-[2-(diethylamino)ethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3801195
4-bromo-5-ethyl-1,2-oxazol-3-amine
CID 79555954
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine
CID 154507388
5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide
CID 130964727
N-ethyl-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 83959835
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine (CID 13312712) is N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine is CCN(CC)Cc1onc(C)c1Br.
What is the InChIKey of N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine?
The InChIKey is ISGXPKFZIFDBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O/c1-4-12(5-2)6-8-9(10)7(3)11-13-8/h4-6H2,1-3H3.
What are the key properties of N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine?
N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine has a molecular weight of 247.14 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 13312712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).