2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole

C19H22N4O2 — CID 154774777

IUPAC2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
SMILESCOCc1nccc(C2CCCN(Cc3nc4ccccc4o3)C2)n1
InChIInChI=1S/C19H22N4O2/c1-24-13-18-20-9-8-15(21-18)14-5-4-10-23(11-14)12-19-22-16-6-2-3-7-17(16)25-19/h2-3,6-9,14H,4-5,10-13H2,1H3
InChIKeyGLYJYSFIGBFXCS-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.14
Rot. Bonds5

About 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole

2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole (PubChem CID 154774777) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
PubChem CID154774777
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
SMILESCOCc1nccc(C2CCCN(Cc3nc4ccccc4o3)C2)n1
InChIInChI=1S/C19H22N4O2/c1-24-13-18-20-9-8-15(21-18)14-5-4-10-23(11-14)12-19-22-16-6-2-3-7-17(16)25-19/h2-3,6-9,14H,4-5,10-13H2,1H3
InChIKeyGLYJYSFIGBFXCS-UHFFFAOYSA-N
XLogP3.14
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891342
2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 71926991
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891333
5-chloro-4-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiadiazole
CID 71891331
4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 97063194
2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 9348819
2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 9348821
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
CID 60670163
ethyl (3S)-1-(1,3-benzoxazol-2-ylmethyl)piperidine-3-carboxylate
CID 81338545
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole?
The IUPAC name of 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole (CID 154774777) is 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole is COCc1nccc(C2CCCN(Cc3nc4ccccc4o3)C2)n1.
What is the InChIKey of 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole?
The InChIKey is GLYJYSFIGBFXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-24-13-18-20-9-8-15(21-18)14-5-4-10-23(11-14)12-19-22-16-6-2-3-7-17(16)25-19/h2-3,6-9,14H,4-5,10-13H2,1H3.
What are the key properties of 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole?
2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole has a molecular weight of 338.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole is sourced from PubChem (CID 154774777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).