3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole

C16H12ClNO2 — CID 67512216

IUPAC3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccccc3Cl)no2)cc1
InChIInChI=1S/C16H12ClNO2/c1-19-12-8-6-11(7-9-12)16-10-15(18-20-16)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyZKIOWNZTNMTYDS-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.67
Rot. Bonds3

About 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole

3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 67512216) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
PubChem CID67512216
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cc(-c3ccccc3Cl)no2)cc1
InChIInChI=1S/C16H12ClNO2/c1-19-12-8-6-11(7-9-12)16-10-15(18-20-16)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyZKIOWNZTNMTYDS-UHFFFAOYSA-N
XLogP4.67
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole
CID 121415645
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543
2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 102314201
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66204576
5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198750
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 59226263

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole (CID 67512216) is 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cc(-c3ccccc3Cl)no2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is ZKIOWNZTNMTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-19-12-8-6-11(7-9-12)16-10-15(18-20-16)13-4-2-3-5-14(13)17/h2-10H,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole?
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 285.73 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 67512216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).