(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide

C17H20FN3O2 — CID 94651397

IUPAC(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1ccnc1
InChIInChI=1S/C17H20FN3O2/c1-12(21-9-8-19-11-21)17(22)20-16(15-3-2-10-23-15)13-4-6-14(18)7-5-13/h4-9,11-12,15-16H,2-3,10H2,1H3,(H,20,22)/t12-,15+,16-/m1/s1
InChIKeyNWWBSWXJBFRJJI-UHOFOFEASA-N
MW317.36 g/mol
LogP2.62
Rot. Bonds5

About (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide

(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide (PubChem CID 94651397) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
PubChem CID94651397
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1ccnc1
InChIInChI=1S/C17H20FN3O2/c1-12(21-9-8-19-11-21)17(22)20-16(15-3-2-10-23-15)13-4-6-14(18)7-5-13/h4-9,11-12,15-16H,2-3,10H2,1H3,(H,20,22)/t12-,15+,16-/m1/s1
InChIKeyNWWBSWXJBFRJJI-UHOFOFEASA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide
CID 94651394
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(2-imidazol-1-ylethyl)urea
CID 94666682
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580528
(2R)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 95580526
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 94633633
2-(3,5-dimethylpyrazol-1-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94633627
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methylsulfonylazepane-1-carboxamide
CID 167769059

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide (CID 94651397) is (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide is C[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)n1ccnc1.
What is the InChIKey of (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide?
The InChIKey is NWWBSWXJBFRJJI-UHOFOFEASA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12(21-9-8-19-11-21)17(22)20-16(15-3-2-10-23-15)13-4-6-14(18)7-5-13/h4-9,11-12,15-16H,2-3,10H2,1H3,(H,20,22)/t12-,15+,16-/m1/s1.
What are the key properties of (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide?
(2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide has a molecular weight of 317.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 94651397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).