3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide

C17H20FN3O2 — CID 128969379

IUPAC3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-21-10-9-19-17(21)16-14(8-11-23-16)20-15(22)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,9-10,14,16H,4,7-8,11H2,1H3,(H,20,22)/t14-,16-/m0/s1
InChIKeyIAEZZGGZANAZQX-HOCLYGCPSA-N
MW317.36 g/mol
LogP2.14
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide

3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide (PubChem CID 128969379) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
PubChem CID128969379
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-21-10-9-19-17(21)16-14(8-11-23-16)20-15(22)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,9-10,14,16H,4,7-8,11H2,1H3,(H,20,22)/t14-,16-/m0/s1
InChIKeyIAEZZGGZANAZQX-HOCLYGCPSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
3-(furan-2-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128986107
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
CID 128972203
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
CID 128989683
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100
2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
CID 154794496
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide (CID 128969379) is 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide is Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide?
The InChIKey is IAEZZGGZANAZQX-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-21-10-9-19-17(21)16-14(8-11-23-16)20-15(22)7-4-12-2-5-13(18)6-3-12/h2-3,5-6,9-10,14,16H,4,7-8,11H2,1H3,(H,20,22)/t14-,16-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide?
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide has a molecular weight of 317.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide is sourced from PubChem (CID 128969379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).