(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide

C17H20FN3O3 — CID 95616239

IUPAC(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)n1ccnc1
InChIInChI=1S/C17H20FN3O3/c1-12(21-7-6-19-11-21)17(22)20-15-9-13(18)4-5-16(15)24-10-14-3-2-8-23-14/h4-7,9,11-12,14H,2-3,8,10H2,1H3,(H,20,22)/t12-,14+/m1/s1
InChIKeyBWUWLESYAFSJCT-OCCSQVGLSA-N
MW333.36 g/mol
LogP2.78
Rot. Bonds6

About (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide

(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide (PubChem CID 95616239) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide
PubChem CID95616239
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)n1ccnc1
InChIInChI=1S/C17H20FN3O3/c1-12(21-7-6-19-11-21)17(22)20-15-9-13(18)4-5-16(15)24-10-14-3-2-8-23-14/h4-7,9,11-12,14H,2-3,8,10H2,1H3,(H,20,22)/t12-,14+/m1/s1
InChIKeyBWUWLESYAFSJCT-OCCSQVGLSA-N
XLogP2.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide with MolForge

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Related Compounds

3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 99781783
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 56783386
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
(2R)-2-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]anilino]-N-(methylcarbamoyl)propanamide
CID 95323022
1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
CID 97332544
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119125471
2-[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609356

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide (CID 95616239) is (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide is C[C@H](C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)n1ccnc1.
What is the InChIKey of (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide?
The InChIKey is BWUWLESYAFSJCT-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12(21-7-6-19-11-21)17(22)20-15-9-13(18)4-5-16(15)24-10-14-3-2-8-23-14/h4-7,9,11-12,14H,2-3,8,10H2,1H3,(H,20,22)/t12-,14+/m1/s1.
What are the key properties of (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide?
(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide has a molecular weight of 333.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 95616239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).