3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole

C24H23N5O3 — CID 90182195

IUPAC3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(-c3noc(C)n3)cc2)nc1
InChIInChI=1S/C24H23N5O3/c1-14-25-12-21(16-4-6-17(7-5-16)23-28-15(2)32-29-23)24(27-14)31-13-18-10-20(18)22-9-8-19(30-3)11-26-22/h4-9,11-12,18,20H,10,13H2,1-3H3/t18-,20+/m1/s1
InChIKeyOMWVUAVFQFLSGD-QUCCMNQESA-N
MW429.48 g/mol
LogP4.40
Rot. Bonds7

About 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole

3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 90182195) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID90182195
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(-c3noc(C)n3)cc2)nc1
InChIInChI=1S/C24H23N5O3/c1-14-25-12-21(16-4-6-17(7-5-16)23-28-15(2)32-29-23)24(27-14)31-13-18-10-20(18)22-9-8-19(30-3)11-26-22/h4-9,11-12,18,20H,10,13H2,1-3H3/t18-,20+/m1/s1
InChIKeyOMWVUAVFQFLSGD-QUCCMNQESA-N
XLogP4.40
TPSA96.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole (CID 90182195) is 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(-c3noc(C)n3)cc2)nc1.
What is the InChIKey of 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is OMWVUAVFQFLSGD-QUCCMNQESA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-25-12-21(16-4-6-17(7-5-16)23-28-15(2)32-29-23)24(27-14)31-13-18-10-20(18)22-9-8-19(30-3)11-26-22/h4-9,11-12,18,20H,10,13H2,1-3H3/t18-,20+/m1/s1.
What are the key properties of 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole?
3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 429.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 90182195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).