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

C16H17N3O2 — CID 136994382

IUPAC3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
SMILESCCN(CC)c1noc(-c2cc3ccccc3cc2O)n1
InChIInChI=1S/C16H17N3O2/c1-3-19(4-2)16-17-15(21-18-16)13-9-11-7-5-6-8-12(11)10-14(13)20/h5-10,20H,3-4H2,1-2H3
InChIKeyYIWNSVALIMPZRF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.44
Rot. Bonds4

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

3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol (PubChem CID 136994382) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
PubChem CID136994382
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
SMILESCCN(CC)c1noc(-c2cc3ccccc3cc2O)n1
InChIInChI=1S/C16H17N3O2/c1-3-19(4-2)16-17-15(21-18-16)13-9-11-7-5-6-8-12(11)10-14(13)20/h5-10,20H,3-4H2,1-2H3
InChIKeyYIWNSVALIMPZRF-UHFFFAOYSA-N
XLogP3.44
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]phenol
CID 136994349
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136983449
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136965177
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-6-methylphenol
CID 136994463
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886124
[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol
CID 116808898
5-(4-amino-3-nitrophenyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806147
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
CID 136994466
5-[3-amino-5-(trifluoromethyl)phenyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806385
5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747800
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol?
The IUPAC name of 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol (CID 136994382) is 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol.
What is the SMILES notation for 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol?
The canonical SMILES for 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol is CCN(CC)c1noc(-c2cc3ccccc3cc2O)n1.
What is the InChIKey of 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol?
The InChIKey is YIWNSVALIMPZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-19(4-2)16-17-15(21-18-16)13-9-11-7-5-6-8-12(11)10-14(13)20/h5-10,20H,3-4H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol?
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol has a molecular weight of 283.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol is sourced from PubChem (CID 136994382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).