(4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one

C21H22N2O3 — CID 58255197

IUPAC(4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one
SMILESCOc1ccc([C@@H](C)CC(=O)Cc2ccc(-c3cnoc3C)cc2)nc1
InChIInChI=1S/C21H22N2O3/c1-14(21-9-8-19(25-3)12-22-21)10-18(24)11-16-4-6-17(7-5-16)20-13-23-26-15(20)2/h4-9,12-14H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyVZNQCZARHZUVAM-AWEZNQCLSA-N
MW350.42 g/mol
LogP4.36
Rot. Bonds7

About (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one

(4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one (PubChem CID 58255197) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one.

Molecular Properties

Compound Name(4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one
PubChem CID58255197
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one
SMILESCOc1ccc([C@@H](C)CC(=O)Cc2ccc(-c3cnoc3C)cc2)nc1
InChIInChI=1S/C21H22N2O3/c1-14(21-9-8-19(25-3)12-22-21)10-18(24)11-16-4-6-17(7-5-16)20-13-23-26-15(20)2/h4-9,12-14H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyVZNQCZARHZUVAM-AWEZNQCLSA-N
XLogP4.36
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one with MolForge

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Related Compounds

(4S)-4-(5-ethenyl-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one
CID 58255196
N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
CID 24765670
(4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one
CID 58255261
(4S)-1-[4-(1,3-oxazol-2-yl)phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255182
(4S)-1-(4-phenylphenyl)-4-[5-(pyridin-2-ylmethyl)-2-pyridinyl]pentan-2-one
CID 58255208
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
CID 53321010
ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893
3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423672
carbon dioxide;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-ethylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(1-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-[4-(2-hydroxypropan-2-yl)phenyl]pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-propan-2-ylphenyl)pentan-2-one;(4S)-4-(5-ethoxy-2-pyridinyl)-1-(4-prop-1-en-2-ylphenyl)pentan-2-one
CID 163735311
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
1-(4-chlorophenyl)-4-(hydroxymethyl)-5-(4-methoxyphenyl)pentan-2-one
CID 162097105

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one?
The IUPAC name of (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one (CID 58255197) is (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one.
What is the SMILES notation for (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one?
The canonical SMILES for (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one is COc1ccc([C@@H](C)CC(=O)Cc2ccc(-c3cnoc3C)cc2)nc1.
What is the InChIKey of (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one?
The InChIKey is VZNQCZARHZUVAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(21-9-8-19(25-3)12-22-21)10-18(24)11-16-4-6-17(7-5-16)20-13-23-26-15(20)2/h4-9,12-14H,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one?
(4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one has a molecular weight of 350.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one is sourced from PubChem (CID 58255197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).