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

C12H19N3O4 — CID 66434488

IUPAC2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
SMILESCC(C)c1nc(CN2CCOC(CC(=O)O)C2)no1
InChIInChI=1S/C12H19N3O4/c1-8(2)12-13-10(14-19-12)7-15-3-4-18-9(6-15)5-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyYJLRXJWVDZVEGC-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.87
Rot. Bonds5

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

2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid (PubChem CID 66434488) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
PubChem CID66434488
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
SMILESCC(C)c1nc(CN2CCOC(CC(=O)O)C2)no1
InChIInChI=1S/C12H19N3O4/c1-8(2)12-13-10(14-19-12)7-15-3-4-18-9(6-15)5-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyYJLRXJWVDZVEGC-UHFFFAOYSA-N
XLogP0.87
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

N,N-dimethyl-1-[(2R)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 95345198
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62688896
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79605835
methyl 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetate
CID 79822612
(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
CID 128986916
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66434088
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
CID 79827344
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 66435835
2-(6-methoxynaphthalen-2-yl)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 56918123
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid (CID 66434488) is 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid is CC(C)c1nc(CN2CCOC(CC(=O)O)C2)no1.
What is the InChIKey of 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is YJLRXJWVDZVEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(2)12-13-10(14-19-12)7-15-3-4-18-9(6-15)5-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).