3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole

C16H15BrN2O2 — CID 61495193

IUPAC3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(COc2ccc3ccccc3c2Br)no1
InChIInChI=1S/C16H15BrN2O2/c1-2-5-15-18-14(19-21-15)10-20-13-9-8-11-6-3-4-7-12(11)16(13)17/h3-4,6-9H,2,5,10H2,1H3
InChIKeyGHXBOJRLPTUXQP-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.52
Rot. Bonds5

About 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole

3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 61495193) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole
PubChem CID61495193
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(COc2ccc3ccccc3c2Br)no1
InChIInChI=1S/C16H15BrN2O2/c1-2-5-15-18-14(19-21-15)10-20-13-9-8-11-6-3-4-7-12(11)16(13)17/h3-4,6-9H,2,5,10H2,1H3
InChIKeyGHXBOJRLPTUXQP-UHFFFAOYSA-N
XLogP4.52
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
CID 63862061
1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495555
N-[[3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045842
3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82912805
5-[(1-bromonaphthalen-2-yl)oxymethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17380532
N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495515
[6-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79157639
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 51129169
3-[(4-bromo-3-methylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 81300449
3-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]prop-2-enoic acid
CID 76905301
[5-chloro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61495157
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167

Frequently Asked Questions

What is the IUPAC name of 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole (CID 61495193) is 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(COc2ccc3ccccc3c2Br)no1.
What is the InChIKey of 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is GHXBOJRLPTUXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-2-5-15-18-14(19-21-15)10-20-13-9-8-11-6-3-4-7-12(11)16(13)17/h3-4,6-9H,2,5,10H2,1H3.
What are the key properties of 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole?
3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 347.21 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-bromonaphthalen-2-yl)oxymethyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 61495193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).