2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide

C18H20N4O2 — CID 154794496

IUPAC2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C18H20N4O2/c1-22-8-7-20-18(22)17-15(6-9-24-17)12-21-16(23)10-13-2-4-14(11-19)5-3-13/h2-5,7-8,15,17H,6,9-10,12H2,1H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyZEQJCFYGUBFOTJ-DOTOQJQBSA-N
MW324.38 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide

2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide (PubChem CID 154794496) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
PubChem CID154794496
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C18H20N4O2/c1-22-8-7-20-18(22)17-15(6-9-24-17)12-21-16(23)10-13-2-4-14(11-19)5-3-13/h2-5,7-8,15,17H,6,9-10,12H2,1H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyZEQJCFYGUBFOTJ-DOTOQJQBSA-N
XLogP1.73
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63235692
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988102
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide
CID 154795416
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 62404558
2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide
CID 103888163
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
N-[[(2R,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 136584049

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide (CID 154794496) is 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide is Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide?
The InChIKey is ZEQJCFYGUBFOTJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22-8-7-20-18(22)17-15(6-9-24-17)12-21-16(23)10-13-2-4-14(11-19)5-3-13/h2-5,7-8,15,17H,6,9-10,12H2,1H3,(H,21,23)/t15-,17+/m0/s1.
What are the key properties of 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide?
2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 154794496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).