oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate

C20H26N2O5 — CID 4220633

IUPACoxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)NC(c2ccccc2OC(C)C)C1C(=O)OCC1CCCO1
InChIInChI=1S/C20H26N2O5/c1-12(2)27-16-9-5-4-8-15(16)18-17(13(3)21-20(24)22-18)19(23)26-11-14-7-6-10-25-14/h4-5,8-9,12,14,17-18H,3,6-7,10-11H2,1-2H3,(H2,21,22,24)
InChIKeyCFUSHUDGXWAIFU-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.68
Rot. Bonds6

About oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate

oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate (PubChem CID 4220633) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate
PubChem CID4220633
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nameoxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate
SMILESC=C1NC(=O)NC(c2ccccc2OC(C)C)C1C(=O)OCC1CCCO1
InChIInChI=1S/C20H26N2O5/c1-12(2)27-16-9-5-4-8-15(16)18-17(13(3)21-20(24)22-18)19(23)26-11-14-7-6-10-25-14/h4-5,8-9,12,14,17-18H,3,6-7,10-11H2,1-2H3,(H2,21,22,24)
InChIKeyCFUSHUDGXWAIFU-UHFFFAOYSA-N
XLogP2.68
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-oxolan-2-yl]methyl (5R,6S)-4-methylidene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate
CID 2167772
[(2S)-oxolan-2-yl]methyl (5R,6S)-4-methylidene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate
CID 2252272
[(2R)-oxolan-2-yl]methyl (4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1263015
oxolan-2-ylmethyl 7,7-dimethyl-2-methylidene-4-(2-methylphenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
CID 4073608
propyl (4S,5S)-4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2170708
cyclohexylmethyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854673
cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1007239
oxolan-2-ylmethyl 4-(2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855172
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
2-ethoxyethyl (4R,5S)-4-(2-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2059592
oxolan-2-ylmethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855398

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate (CID 4220633) is oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate is C=C1NC(=O)NC(c2ccccc2OC(C)C)C1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate?
The InChIKey is CFUSHUDGXWAIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-12(2)27-16-9-5-4-8-15(16)18-17(13(3)21-20(24)22-18)19(23)26-11-14-7-6-10-25-14/h4-5,8-9,12,14,17-18H,3,6-7,10-11H2,1-2H3,(H2,21,22,24).
What are the key properties of oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate?
oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-methylidene-2-oxo-6-(2-propan-2-yloxyphenyl)-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 4220633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).