2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid

C11H17N3O4 — CID 66434088

IUPAC2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid
SMILESCCc1nnc(CN2CCOC(CC(=O)O)C2)o1
InChIInChI=1S/C11H17N3O4/c1-2-9-12-13-10(18-9)7-14-3-4-17-8(6-14)5-11(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeySEAWAORIFCFNKY-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.31
Rot. Bonds5

About 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid

2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid (PubChem CID 66434088) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid
PubChem CID66434088
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid
SMILESCCc1nnc(CN2CCOC(CC(=O)O)C2)o1
InChIInChI=1S/C11H17N3O4/c1-2-9-12-13-10(18-9)7-14-3-4-17-8(6-14)5-11(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeySEAWAORIFCFNKY-UHFFFAOYSA-N
XLogP0.31
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66434488
2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684166
2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
2-[4-(2-hydroxy-2-methylbutyl)morpholin-2-yl]acetic acid
CID 114495022
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 66435835
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449208
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid (CID 66434088) is 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid is CCc1nnc(CN2CCOC(CC(=O)O)C2)o1.
What is the InChIKey of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is SEAWAORIFCFNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-9-12-13-10(18-9)7-14-3-4-17-8(6-14)5-11(15)16/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).