2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole

C19H24N2O4 — CID 56502007

IUPAC2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CCCCC3C3OCCO3)o2)cc1
InChIInChI=1S/C19H24N2O4/c1-22-15-7-5-14(6-8-15)17-12-20-18(25-17)13-21-9-3-2-4-16(21)19-23-10-11-24-19/h5-8,12,16,19H,2-4,9-11,13H2,1H3
InChIKeyIFGCMOKCANNTNT-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.08
Rot. Bonds5

About 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole

2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 56502007) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
PubChem CID56502007
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(CN3CCCCC3C3OCCO3)o2)cc1
InChIInChI=1S/C19H24N2O4/c1-22-15-7-5-14(6-8-15)17-12-20-18(25-17)13-21-9-3-2-4-16(21)19-23-10-11-24-19/h5-8,12,16,19H,2-4,9-11,13H2,1H3
InChIKeyIFGCMOKCANNTNT-UHFFFAOYSA-N
XLogP3.08
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 71885006
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
2-[(2,4-dimethylpiperazin-1-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 71877632
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
2-[(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 86959173
N-cyclopropyl-2-[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 48631825
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
5-(4-methoxyphenyl)-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870308

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole (CID 56502007) is 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(CN3CCCCC3C3OCCO3)o2)cc1.
What is the InChIKey of 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is IFGCMOKCANNTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-22-15-7-5-14(6-8-15)17-12-20-18(25-17)13-21-9-3-2-4-16(21)19-23-10-11-24-19/h5-8,12,16,19H,2-4,9-11,13H2,1H3.
What are the key properties of 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole?
2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 344.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56502007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).