2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid

C14H14N2O4 — CID 61496904

IUPAC2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCc2noc(C3CC3)n2)c1
InChIInChI=1S/C14H14N2O4/c17-13(18)7-9-2-1-3-11(6-9)19-8-12-15-14(20-16-12)10-4-5-10/h1-3,6,10H,4-5,7-8H2,(H,17,18)
InChIKeyIPKVDTNWVDBENA-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.15
Rot. Bonds6

About 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid

2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid (PubChem CID 61496904) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
PubChem CID61496904
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCc2noc(C3CC3)n2)c1
InChIInChI=1S/C14H14N2O4/c17-13(18)7-9-2-1-3-11(6-9)19-8-12-15-14(20-16-12)10-4-5-10/h1-3,6,10H,4-5,7-8H2,(H,17,18)
InChIKeyIPKVDTNWVDBENA-UHFFFAOYSA-N
XLogP2.15
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61496946
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid
CID 61398198
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
2-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetamide
CID 119323625
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
CID 61497495
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81446484
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
CID 61497419

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid (CID 61496904) is 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid is O=C(O)Cc1cccc(OCc2noc(C3CC3)n2)c1.
What is the InChIKey of 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid?
The InChIKey is IPKVDTNWVDBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13(18)7-9-2-1-3-11(6-9)19-8-12-15-14(20-16-12)10-4-5-10/h1-3,6,10H,4-5,7-8H2,(H,17,18).
What are the key properties of 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid?
2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 61496904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).