N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine

C9H17N3O — CID 112712423

IUPACN,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine
SMILESCCN(CC)c1ncc(CNC)o1
InChIInChI=1S/C9H17N3O/c1-4-12(5-2)9-11-7-8(13-9)6-10-3/h7,10H,4-6H2,1-3H3
InChIKeyNHYJWTJIZZXBBD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds5

About N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine

N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine (PubChem CID 112712423) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine
PubChem CID112712423
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine
SMILESCCN(CC)c1ncc(CNC)o1
InChIInChI=1S/C9H17N3O/c1-4-12(5-2)9-11-7-8(13-9)6-10-3/h7,10H,4-6H2,1-3H3
InChIKeyNHYJWTJIZZXBBD-UHFFFAOYSA-N
XLogP1.24
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine?
The IUPAC name of N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine (CID 112712423) is N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine?
The canonical SMILES for N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine is CCN(CC)c1ncc(CNC)o1.
What is the InChIKey of N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine?
The InChIKey is NHYJWTJIZZXBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-12(5-2)9-11-7-8(13-9)6-10-3/h7,10H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine?
N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(methylaminomethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 112712423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).