4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole

C16H13ClN2O2 — CID 86296158

IUPAC4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
SMILESCOc1ncc(Cc2cnoc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-20-16-15(13-3-2-4-14(17)7-13)6-11(8-18-16)5-12-9-19-21-10-12/h2-4,6-10H,5H2,1H3
InChIKeyMUQUEKAAAYLTMS-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.99
Rot. Bonds4

About 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole

4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole (PubChem CID 86296158) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
PubChem CID86296158
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
SMILESCOc1ncc(Cc2cnoc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-20-16-15(13-3-2-4-14(17)7-13)6-11(8-18-16)5-12-9-19-21-10-12/h2-4,6-10H,5H2,1H3
InChIKeyMUQUEKAAAYLTMS-UHFFFAOYSA-N
XLogP3.99
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
CID 86304433
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 142769145
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide
CID 90415247
(1Z,3Z)-2-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]penta-1,3-diene-1,4-diamine
CID 134447582
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 86304918
3-(3-chlorophenyl)-2-methoxy-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyridine
CID 90415803
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 123654264
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
CID 90415611
4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
CID 58020299
6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine
CID 150659230

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole?
The IUPAC name of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole (CID 86296158) is 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole?
The canonical SMILES for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole is COc1ncc(Cc2cnoc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole?
The InChIKey is MUQUEKAAAYLTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-20-16-15(13-3-2-4-14(17)7-13)6-11(8-18-16)5-12-9-19-21-10-12/h2-4,6-10H,5H2,1H3.
What are the key properties of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole?
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole has a molecular weight of 300.75 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole is sourced from PubChem (CID 86296158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).