4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole

C25H24N2O3 — CID 154455192

IUPAC4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole
SMILESCOc1ncccc1-c1nc(C(C)C)oc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-17(2)24-27-22(21-10-7-15-26-25(21)28-3)23(30-24)19-11-13-20(14-12-19)29-16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3
InChIKeyYAOQIYHBSDPTQM-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.11
Rot. Bonds7

About 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole

4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 154455192) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole
PubChem CID154455192
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole
SMILESCOc1ncccc1-c1nc(C(C)C)oc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-17(2)24-27-22(21-10-7-15-26-25(21)28-3)23(30-24)19-11-13-20(14-12-19)29-16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3
InChIKeyYAOQIYHBSDPTQM-UHFFFAOYSA-N
XLogP6.11
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-bis(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)pyridine
CID 18923794
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
2-methoxy-3-[3-methoxy-5-(4-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
CID 141089711
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine
CID 11486400
1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
1-(3-chloro-5-phenylmethoxyphenyl)-5-(2-methoxy-3-pyridinyl)pyrimidine-2,4-dione
CID 171562708
4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole
CID 59486937

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole (CID 154455192) is 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole is COc1ncccc1-c1nc(C(C)C)oc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is YAOQIYHBSDPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17(2)24-27-22(21-10-7-15-26-25(21)28-3)23(30-24)19-11-13-20(14-12-19)29-16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3.
What are the key properties of 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole?
4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 400.48 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 154455192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).