methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate

C11H19N3O3 — CID 62025875

IUPACmethyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
SMILESCCc1nc(CN(CC(=O)OC)C(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-5-10-12-9(13-17-10)6-14(8(2)3)7-11(15)16-4/h8H,5-7H2,1-4H3
InChIKeyTVNCYAPSWWMDEB-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.02
Rot. Bonds6

About methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate

methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate (PubChem CID 62025875) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
PubChem CID62025875
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate
SMILESCCc1nc(CN(CC(=O)OC)C(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-5-10-12-9(13-17-10)6-14(8(2)3)7-11(15)16-4/h8H,5-7H2,1-4H3
InChIKeyTVNCYAPSWWMDEB-UHFFFAOYSA-N
XLogP1.02
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
CID 80710052
methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
CID 60721009
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
CID 80658262
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
CID 83029917
methyl 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoate
CID 62012272
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine
CID 115663726
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
CID 115888896
ethyl (3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoate
CID 96550507
3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate (CID 62025875) is methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate is CCc1nc(CN(CC(=O)OC)C(C)C)no1.
What is the InChIKey of methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate?
The InChIKey is TVNCYAPSWWMDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-10-12-9(13-17-10)6-14(8(2)3)7-11(15)16-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate?
methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate has a molecular weight of 241.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 62025875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).