2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol

C13H16N2O4 — CID 79732855

IUPAC2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOCCCc1noc(-c2ccc(OC)c(O)c2)n1
InChIInChI=1S/C13H16N2O4/c1-17-7-3-4-12-14-13(19-15-12)9-5-6-11(18-2)10(16)8-9/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyLCRDLPHOHXINFB-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.03
Rot. Bonds6

About 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol

2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 79732855) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID79732855
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOCCCc1noc(-c2ccc(OC)c(O)c2)n1
InChIInChI=1S/C13H16N2O4/c1-17-7-3-4-12-14-13(19-15-12)9-5-6-11(18-2)10(16)8-9/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyLCRDLPHOHXINFB-UHFFFAOYSA-N
XLogP2.03
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 65094056
2-methoxy-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 79733050
2-chloro-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094898
2-chloro-4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094389
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136745795
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732954
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65095158
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
2-methoxy-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82008572
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyphenol
CID 79732351
2-chloro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136780931
4-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136842510

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol (CID 79732855) is 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol is COCCCc1noc(-c2ccc(OC)c(O)c2)n1.
What is the InChIKey of 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is LCRDLPHOHXINFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-17-7-3-4-12-14-13(19-15-12)9-5-6-11(18-2)10(16)8-9/h5-6,8,16H,3-4,7H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 264.28 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 79732855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).