2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide

C17H20FN3O3 — CID 129492339

IUPAC2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c(F)c1
InChIInChI=1S/C17H20FN3O3/c1-21-10-19-9-15(21)16-7-11(5-6-24-16)20-17(22)13-4-3-12(23-2)8-14(13)18/h3-4,8-11,16H,5-7H2,1-2H3,(H,20,22)/t11-,16-/m0/s1
InChIKeyKOBIISFRFCSIGR-ZBEGNZNMSA-N
MW333.36 g/mol
LogP2.22
Rot. Bonds4

About 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide

2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide (PubChem CID 129492339) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
PubChem CID129492339
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c(F)c1
InChIInChI=1S/C17H20FN3O3/c1-21-10-19-9-15(21)16-7-11(5-6-24-16)20-17(22)13-4-3-12(23-2)8-14(13)18/h3-4,8-11,16H,5-7H2,1-2H3,(H,20,22)/t11-,16-/m0/s1
InChIKeyKOBIISFRFCSIGR-ZBEGNZNMSA-N
XLogP2.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
(2R,4S)-N-[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129473939
1-(5-fluoro-2-pyridinyl)-3-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129477020
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
1-[(2-fluorophenyl)methyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129472375
(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
CID 128994960
4-(dimethylamino)-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-2-carboxamide
CID 129475939
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129476648
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide (CID 129492339) is 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide is COc1ccc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide?
The InChIKey is KOBIISFRFCSIGR-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-21-10-19-9-15(21)16-7-11(5-6-24-16)20-17(22)13-4-3-12(23-2)8-14(13)18/h3-4,8-11,16H,5-7H2,1-2H3,(H,20,22)/t11-,16-/m0/s1.
What are the key properties of 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide?
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide has a molecular weight of 333.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 129492339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).