2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole

C22H25N3O2 — CID 11624741

IUPAC2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
SMILESCOc1cncc(-c2ccc(-c3nc(CCN4CCCC4)c(C)o3)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-16-21(9-12-25-10-3-4-11-25)24-22(27-16)18-7-5-17(6-8-18)19-13-20(26-2)15-23-14-19/h5-8,13-15H,3-4,9-12H2,1-2H3
InChIKeyANGHUYMRQZFOTA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.36
Rot. Bonds6

About 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole

2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole (PubChem CID 11624741) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
PubChem CID11624741
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole
SMILESCOc1cncc(-c2ccc(-c3nc(CCN4CCCC4)c(C)o3)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-16-21(9-12-25-10-3-4-11-25)24-22(27-16)18-7-5-17(6-8-18)19-13-20(26-2)15-23-14-19/h5-8,13-15H,3-4,9-12H2,1-2H3
InChIKeyANGHUYMRQZFOTA-UHFFFAOYSA-N
XLogP4.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The IUPAC name of 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole (CID 11624741) is 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole.
What is the SMILES notation for 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The canonical SMILES for 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole is COc1cncc(-c2ccc(-c3nc(CCN4CCCC4)c(C)o3)cc2)c1.
What is the InChIKey of 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
The InChIKey is ANGHUYMRQZFOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-21(9-12-25-10-3-4-11-25)24-22(27-16)18-7-5-17(6-8-18)19-13-20(26-2)15-23-14-19/h5-8,13-15H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole?
2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole has a molecular weight of 363.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-3-pyridinyl)phenyl]-5-methyl-4-(2-pyrrolidin-1-ylethyl)-1,3-oxazole is sourced from PubChem (CID 11624741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).