3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol

C16H16N2O3 — CID 136965177

IUPAC3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
SMILESCCC(OC)c1noc(-c2cc3ccccc3cc2O)n1
InChIInChI=1S/C16H16N2O3/c1-3-14(20-2)15-17-16(21-18-15)12-8-10-6-4-5-7-11(10)9-13(12)19/h4-9,14,19H,3H2,1-2H3
InChIKeyODTMEVDWPPQOTO-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.69
Rot. Bonds4

About 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol

3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol (PubChem CID 136965177) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
PubChem CID136965177
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
SMILESCCC(OC)c1noc(-c2cc3ccccc3cc2O)n1
InChIInChI=1S/C16H16N2O3/c1-3-14(20-2)15-17-16(21-18-15)12-8-10-6-4-5-7-11(10)9-13(12)19/h4-9,14,19H,3H2,1-2H3
InChIKeyODTMEVDWPPQOTO-UHFFFAOYSA-N
XLogP3.69
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
CID 136983308
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116704768
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751285
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527254
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylethanamine
CID 116701673
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136994382
5-chloro-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965184
3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116701672
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136983312
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965239
5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole
CID 167773891

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol?
The IUPAC name of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol (CID 136965177) is 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol.
What is the SMILES notation for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol?
The canonical SMILES for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol is CCC(OC)c1noc(-c2cc3ccccc3cc2O)n1.
What is the InChIKey of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol?
The InChIKey is ODTMEVDWPPQOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-14(20-2)15-17-16(21-18-15)12-8-10-6-4-5-7-11(10)9-13(12)19/h4-9,14,19H,3H2,1-2H3.
What are the key properties of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol?
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol has a molecular weight of 284.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol is sourced from PubChem (CID 136965177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).