N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide

C19H23F2N3O2 — CID 50964703

IUPACN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide
SMILESCCc1nc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)c(C)[nH]1
InChIInChI=1S/C19H23F2N3O2/c1-4-18-22-10(2)19(24-18)17-9-15(23-11(3)25)8-16(26-17)12-5-13(20)7-14(21)6-12/h5-7,15-17H,4,8-9H2,1-3H3,(H,22,24)(H,23,25)/t15-,16-,17+/m1/s1
InChIKeyFNDAMVNOOBJMLG-ZACQAIPSSA-N
MW363.41 g/mol
LogP3.66
Rot. Bonds4

About N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide (PubChem CID 50964703) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide
PubChem CID50964703
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide
SMILESCCc1nc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)c(C)[nH]1
InChIInChI=1S/C19H23F2N3O2/c1-4-18-22-10(2)19(24-18)17-9-15(23-11(3)25)8-16(26-17)12-5-13(20)7-14(21)6-12/h5-7,15-17H,4,8-9H2,1-3H3,(H,22,24)(H,23,25)/t15-,16-,17+/m1/s1
InChIKeyFNDAMVNOOBJMLG-ZACQAIPSSA-N
XLogP3.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S*,4R*,6S*)-2-(2-ethyl-4-methyl-1H-imidazol-5-yl)-6-(2-phenylethyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50958995
5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N,3-diethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613825
tert-butyl N-[(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)oxan-3-yl]carbamate
CID 118613828
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)oxan-3-amine
CID 118613829
5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-3-ethyl-N-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613912
5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide
CID 118614029
tert-butyl N-[(2R,3S,5R)-5-(2-carbamoyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-2-(2,5-difluorophenyl)oxan-3-yl]carbamate
CID 118614033
ethyl 5-[(3R,5S,6R)-6-(2,5-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylate
CID 118614044
tert-butyl N-[(2R,3S,5R)-5-(2-cyano-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)-2-(2,5-difluorophenyl)oxan-3-yl]carbamate
CID 118614053
ethyl 5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylate
CID 118614346
5-methyl-2-(phenylmethoxymethyl)-4-(trifluoromethyl)-1H-imidazole;propane
CID 144872552
5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-ethanimidoyl-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 144979152

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide (CID 50964703) is N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide is CCc1nc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)c(C)[nH]1.
What is the InChIKey of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide?
The InChIKey is FNDAMVNOOBJMLG-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-4-18-22-10(2)19(24-18)17-9-15(23-11(3)25)8-16(26-17)12-5-13(20)7-14(21)6-12/h5-7,15-17H,4,8-9H2,1-3H3,(H,22,24)(H,23,25)/t15-,16-,17+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide has a molecular weight of 363.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2-ethyl-5-methyl-1H-imidazol-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 50964703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).