2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole

C23H27N3O2 — CID 91188409

IUPAC2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole
SMILESCOc1ccc(-c2ccc(-c3nc(CCN4CCC[C@H]4C)c(C)o3)cc2)cn1
InChIInChI=1S/C23H27N3O2/c1-16-5-4-13-26(16)14-12-21-17(2)28-23(25-21)19-8-6-18(7-9-19)20-10-11-22(27-3)24-15-20/h6-11,15-16H,4-5,12-14H2,1-3H3/t16-/m1/s1
InChIKeyRTUUFJZSJQXGET-MRXNPFEDSA-N
MW377.49 g/mol
LogP4.75
Rot. Bonds6

About 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole

2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole (PubChem CID 91188409) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole
PubChem CID91188409
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole
SMILESCOc1ccc(-c2ccc(-c3nc(CCN4CCC[C@H]4C)c(C)o3)cc2)cn1
InChIInChI=1S/C23H27N3O2/c1-16-5-4-13-26(16)14-12-21-17(2)28-23(25-21)19-8-6-18(7-9-19)20-10-11-22(27-3)24-15-20/h6-11,15-16H,4-5,12-14H2,1-3H3/t16-/m1/s1
InChIKeyRTUUFJZSJQXGET-MRXNPFEDSA-N
XLogP4.75
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole (CID 91188409) is 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole is COc1ccc(-c2ccc(-c3nc(CCN4CCC[C@H]4C)c(C)o3)cc2)cn1.
What is the InChIKey of 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole?
The InChIKey is RTUUFJZSJQXGET-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-5-4-13-26(16)14-12-21-17(2)28-23(25-21)19-8-6-18(7-9-19)20-10-11-22(27-3)24-15-20/h6-11,15-16H,4-5,12-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole?
2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole has a molecular weight of 377.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-3-pyridinyl)phenyl]-5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 91188409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).