3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid

C15H16N2O4 — CID 76905301

IUPAC3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid
SMILESCCCc1nc(COc2ccccc2C=CC(=O)O)no1
InChIInChI=1S/C15H16N2O4/c1-2-5-14-16-13(17-21-14)10-20-12-7-4-3-6-11(12)8-9-15(18)19/h3-4,6-9H,2,5,10H2,1H3,(H,18,19)
InChIKeyNHLKEAUDYPGURI-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.70
Rot. Bonds7

About 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid

3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 76905301) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid
PubChem CID76905301
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid
SMILESCCCc1nc(COc2ccccc2C=CC(=O)O)no1
InChIInChI=1S/C15H16N2O4/c1-2-5-14-16-13(17-21-14)10-20-12-7-4-3-6-11(12)8-9-15(18)19/h3-4,6-9H,2,5,10H2,1H3,(H,18,19)
InChIKeyNHLKEAUDYPGURI-UHFFFAOYSA-N
XLogP2.70
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495555
N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495515
3-[3-bromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid
CID 76983069
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole
CID 61495193
3-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 112611773
5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65453876
3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405811
3-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 77125357
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355
(E)-3-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 107699661
[6-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79157639

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid (CID 76905301) is 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid is CCCc1nc(COc2ccccc2C=CC(=O)O)no1.
What is the InChIKey of 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is NHLKEAUDYPGURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-5-14-16-13(17-21-14)10-20-12-7-4-3-6-11(12)8-9-15(18)19/h3-4,6-9H,2,5,10H2,1H3,(H,18,19).
What are the key properties of 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid?
3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 76905301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).