(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C18H22FN3O2 — CID 94364637

IUPAC(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)n1ccnc1
InChIInChI=1S/C18H22FN3O2/c1-14(21-8-7-20-13-21)18(23)22(12-17-6-3-9-24-17)11-15-4-2-5-16(19)10-15/h2,4-5,7-8,10,13-14,17H,3,6,9,11-12H2,1H3/t14-,17+/m0/s1
InChIKeyHLNVAUGMYSGUKU-WMLDXEAASA-N
MW331.39 g/mol
LogP2.79
Rot. Bonds6

About (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 94364637) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID94364637
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)n1ccnc1
InChIInChI=1S/C18H22FN3O2/c1-14(21-8-7-20-13-21)18(23)22(12-17-6-3-9-24-17)11-15-4-2-5-16(19)10-15/h2,4-5,7-8,10,13-14,17H,3,6,9,11-12H2,1H3/t14-,17+/m0/s1
InChIKeyHLNVAUGMYSGUKU-WMLDXEAASA-N
XLogP2.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 94628652
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45199675
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 94364637) is (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@@H](C(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1)n1ccnc1.
What is the InChIKey of (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is HLNVAUGMYSGUKU-WMLDXEAASA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-14(21-8-7-20-13-21)18(23)22(12-17-6-3-9-24-17)11-15-4-2-5-16(19)10-15/h2,4-5,7-8,10,13-14,17H,3,6,9,11-12H2,1H3/t14-,17+/m0/s1.
What are the key properties of (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 94364637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).