5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole

C14H10ClNO2 — CID 80646327

IUPAC5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(Cl)on2)c2ccccc12
InChIInChI=1S/C14H10ClNO2/c1-17-13-7-6-10(12-8-14(15)18-16-12)9-4-2-3-5-11(9)13/h2-8H,1H3
InChIKeyBTFZVWYLWXLBEM-UHFFFAOYSA-N
MW259.69 g/mol
LogP4.16
Rot. Bonds2

About 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole

5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole (PubChem CID 80646327) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole
PubChem CID80646327
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(Cl)on2)c2ccccc12
InChIInChI=1S/C14H10ClNO2/c1-17-13-7-6-10(12-8-14(15)18-16-12)9-4-2-3-5-11(9)13/h2-8H,1H3
InChIKeyBTFZVWYLWXLBEM-UHFFFAOYSA-N
XLogP4.16
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354
2-chloro-1-methoxy-4-(4-methoxynaphthalen-1-yl)naphthalene
CID 165356371
1-chloro-4-methoxynaphthalene
CID 606038
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223852
1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224178
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229
4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine
CID 141066405
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
5-butyl-3-(2,3-dimethoxyphenyl)-1,2-oxazole
CID 143675910

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole (CID 80646327) is 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole is COc1ccc(-c2cc(Cl)on2)c2ccccc12.
What is the InChIKey of 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
The InChIKey is BTFZVWYLWXLBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-17-13-7-6-10(12-8-14(15)18-16-12)9-4-2-3-5-11(9)13/h2-8H,1H3.
What are the key properties of 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole?
5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole has a molecular weight of 259.69 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole is sourced from PubChem (CID 80646327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).