3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole

C17H11NOS — CID 102512631

IUPAC3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole
SMILESc1csc(-c2cc(-c3ccc4ccccc4c3)no2)c1
InChIInChI=1S/C17H11NOS/c1-2-5-13-10-14(8-7-12(13)4-1)15-11-16(19-18-15)17-6-3-9-20-17/h1-11H
InChIKeyBANJARWXMJKIHD-UHFFFAOYSA-N
MW277.35 g/mol
LogP5.22
Rot. Bonds2

About 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole

3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole (PubChem CID 102512631) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole
PubChem CID102512631
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole
SMILESc1csc(-c2cc(-c3ccc4ccccc4c3)no2)c1
InChIInChI=1S/C17H11NOS/c1-2-5-13-10-14(8-7-12(13)4-1)15-11-16(19-18-15)17-6-3-9-20-17/h1-11H
InChIKeyBANJARWXMJKIHD-UHFFFAOYSA-N
XLogP5.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.35
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
CID 122400627
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene
CID 59342673
5-(2-fluorophenyl)-3-thiophen-2-yl-1,2-oxazole
CID 99964161
5-(5-thiophen-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 3590717
6-thiophen-2-ylnaphthalen-2-ol
CID 10878866
(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanamine
CID 54846604
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
5-naphthalen-2-yl-1-benzothiophene
CID 101067943
2-(20-thiophen-2-yl-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl)thiophene
CID 58411506
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942
5-(difluoromethyl)-3-thiophen-2-yl-1,2-oxazole
CID 102110954

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole (CID 102512631) is 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole is c1csc(-c2cc(-c3ccc4ccccc4c3)no2)c1.
What is the InChIKey of 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is BANJARWXMJKIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c1-2-5-13-10-14(8-7-12(13)4-1)15-11-16(19-18-15)17-6-3-9-20-17/h1-11H.
What are the key properties of 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole?
3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole has a molecular weight of 277.35 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 102512631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).