methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate

C21H23NO6 — CID 59712482

IUPACmethyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
SMILESCOC(=O)C1(C(OC(C)=O)c2ccnc(OCc3ccccc3)c2)CCCO1
InChIInChI=1S/C21H23NO6/c1-15(23)28-19(21(20(24)25-2)10-6-12-27-21)17-9-11-22-18(13-17)26-14-16-7-4-3-5-8-16/h3-5,7-9,11,13,19H,6,10,12,14H2,1-2H3
InChIKeyMZYVYFUDLGFZBZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.99
Rot. Bonds7

About methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate

methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate (PubChem CID 59712482) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
PubChem CID59712482
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Namemethyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
SMILESCOC(=O)C1(C(OC(C)=O)c2ccnc(OCc3ccccc3)c2)CCCO1
InChIInChI=1S/C21H23NO6/c1-15(23)28-19(21(20(24)25-2)10-6-12-27-21)17-9-11-22-18(13-17)26-14-16-7-4-3-5-8-16/h3-5,7-9,11,13,19H,6,10,12,14H2,1-2H3
InChIKeyMZYVYFUDLGFZBZ-UHFFFAOYSA-N
XLogP2.99
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
CID 59712337
methyl 1-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylate
CID 86834370
methyl 1-[(2-phenylmethoxy-4-pyridinyl)carbamoyl]cyclopropane-1-carboxylate
CID 119051586
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 99122923
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
CID 54480267
N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 66635020
4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine
CID 156844262

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate?
The IUPAC name of methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate (CID 59712482) is methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate?
The canonical SMILES for methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate is COC(=O)C1(C(OC(C)=O)c2ccnc(OCc3ccccc3)c2)CCCO1.
What is the InChIKey of methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate?
The InChIKey is MZYVYFUDLGFZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-15(23)28-19(21(20(24)25-2)10-6-12-27-21)17-9-11-22-18(13-17)26-14-16-7-4-3-5-8-16/h3-5,7-9,11,13,19H,6,10,12,14H2,1-2H3.
What are the key properties of methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate?
methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyloxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate is sourced from PubChem (CID 59712482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).