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

C19H20N4O3 — CID 90182321

IUPAC5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ocnc2C)nc1
InChIInChI=1S/C19H20N4O3/c1-11-18(26-10-22-11)16-8-20-12(2)23-19(16)25-9-13-6-15(13)17-5-4-14(24-3)7-21-17/h4-5,7-8,10,13,15H,6,9H2,1-3H3/t13-,15+/m1/s1
InChIKeyZXHHKCOJHLHISX-HIFRSBDPSA-N
MW352.39 g/mol
LogP3.33
Rot. Bonds6

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

5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole (PubChem CID 90182321) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole
PubChem CID90182321
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ocnc2C)nc1
InChIInChI=1S/C19H20N4O3/c1-11-18(26-10-22-11)16-8-20-12(2)23-19(16)25-9-13-6-15(13)17-5-4-14(24-3)7-21-17/h4-5,7-8,10,13,15H,6,9H2,1-3H3/t13-,15+/m1/s1
InChIKeyZXHHKCOJHLHISX-HIFRSBDPSA-N
XLogP3.33
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole?
The IUPAC name of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole (CID 90182321) is 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole?
The canonical SMILES for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ocnc2C)nc1.
What is the InChIKey of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole?
The InChIKey is ZXHHKCOJHLHISX-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-18(26-10-22-11)16-8-20-12(2)23-19(16)25-9-13-6-15(13)17-5-4-14(24-3)7-21-17/h4-5,7-8,10,13,15H,6,9H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole?
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole has a molecular weight of 352.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 90182321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).