1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile

C16H15FN4O2 — CID 124614694

IUPAC1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H15FN4O2/c17-13-3-1-12(2-4-13)14-10-21(7-8-23-14)16(22)11-20-6-5-19-15(20)9-18/h1-6,14H,7-8,10-11H2/t14-/m1/s1
InChIKeySYMJWWBGYWVYAI-CQSZACIVSA-N
MW314.32 g/mol
LogP1.49
Rot. Bonds3

About 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile

1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile (PubChem CID 124614694) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile
PubChem CID124614694
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H15FN4O2/c17-13-3-1-12(2-4-13)14-10-21(7-8-23-14)16(22)11-20-6-5-19-15(20)9-18/h1-6,14H,7-8,10-11H2/t14-/m1/s1
InChIKeySYMJWWBGYWVYAI-CQSZACIVSA-N
XLogP1.49
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
CID 134044332
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-[(3S,4R)-3-amino-4-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 166274467
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile
CID 55738682
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 46579431
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432774
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432773
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120754386

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile (CID 124614694) is 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile is N#Cc1nccn1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile?
The InChIKey is SYMJWWBGYWVYAI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-13-3-1-12(2-4-13)14-10-21(7-8-23-14)16(22)11-20-6-5-19-15(20)9-18/h1-6,14H,7-8,10-11H2/t14-/m1/s1.
What are the key properties of 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile?
1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile has a molecular weight of 314.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile is sourced from PubChem (CID 124614694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).