4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one

C6H11N3O2 — CID 82652001

IUPAC4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one
SMILESCNCCc1noc(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-7-4-3-5-8-11-6(10)9(5)2/h7H,3-4H2,1-2H3
InChIKeyWJHGUBPEWRKMKY-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.86
Rot. Bonds3

About 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one

4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one (PubChem CID 82652001) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one
PubChem CID82652001
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one
SMILESCNCCc1noc(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-7-4-3-5-8-11-6(10)9(5)2/h7H,3-4H2,1-2H3
InChIKeyWJHGUBPEWRKMKY-UHFFFAOYSA-N
XLogP-0.86
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Aminoethyl)-2,5-dihydro-1,2,4-oxadiazol-5-one hydrochloride
CID 136380783
3-(2-Aminoethyl)-1,2,4-oxadiazol-5-ol
CID 136197513
3-(2-aminopropyl)-4H-1,2,4-oxadiazol-5-one
CID 136197521
methyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]carbamate
CID 62667505
3-(2-Aminopropyl)-4-methyl-1,2,4-oxadiazol-5-one
CID 82652009
[(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid
CID 87443073
[(3Z)-3-amino-3-hydroxyiminopropyl]carbamic acid
CID 89601855
3-(3-aminopropyl)-4H-1,2,4-oxadiazol-5-one
CID 136197519
3-(1-aminopropan-2-yl)-4H-1,2,4-oxadiazol-5-one
CID 136197520
3-[2-(propan-2-ylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
CID 136464041
2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethylcarbamic acid
CID 136613181
3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
CID 137043198

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one (CID 82652001) is 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one is CNCCc1noc(=O)n1C.
What is the InChIKey of 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one?
The InChIKey is WJHGUBPEWRKMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-7-4-3-5-8-11-6(10)9(5)2/h7H,3-4H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one?
4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 82652001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).