(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide

C22H23FN4O2 — CID 56776061

IUPAC(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide
SMILESC[C@@H](NC(=O)N1CCOC[C@H]1c1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1
InChIInChI=1S/C22H23FN4O2/c1-15(16-5-3-2-4-6-16)25-22(28)27-11-12-29-14-20(27)21-24-13-19(26-21)17-7-9-18(23)10-8-17/h2-10,13,15,20H,11-12,14H2,1H3,(H,24,26)(H,25,28)/t15-,20+/m1/s1
InChIKeyKDAQQOIWCVTIQU-QRWLVFNGSA-N
MW394.45 g/mol
LogP4.06
Rot. Bonds4

About (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide

(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide (PubChem CID 56776061) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide
PubChem CID56776061
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide
SMILESC[C@@H](NC(=O)N1CCOC[C@H]1c1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1
InChIInChI=1S/C22H23FN4O2/c1-15(16-5-3-2-4-6-16)25-22(28)27-11-12-29-14-20(27)21-24-13-19(26-21)17-7-9-18(23)10-8-17/h2-10,13,15,20H,11-12,14H2,1H3,(H,24,26)(H,25,28)/t15-,20+/m1/s1
InChIKeyKDAQQOIWCVTIQU-QRWLVFNGSA-N
XLogP4.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[5-(4-bromophenyl)-1H-imidazol-2-yl]morpholine-4-carboxylate
CID 59450054
methyl N-[2-oxo-2-[3-[5-[4-[4-[2-(12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]morpholin-4-yl]-1-phenylethyl]carbamate
CID 123573639
methyl N-[(2S)-3-methyl-1-oxo-1-[(3R)-3-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]morpholin-4-yl]butan-2-yl]carbamate
CID 123485489
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
CID 56775856
tert-butyl N-[(1R)-2-[(2S)-2-[5-[1-[2,6-difluoro-4-[2-[(3R)-4-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]morpholin-3-yl]-1H-imidazol-5-yl]phenyl]piperidin-4-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 58449696
methyl N-[(1S)-1-[[(3R)-3-[6-[6-[2-[(3R)-4-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]morpholin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]morpholine-4-carbonyl]amino]-2-methylpropyl]carbamate
CID 155552562
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
(2R)-2-amino-1-[2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 71101886
[2-[(2S)-2-[5-[4-[4-[2-[(2R)-1-[2-(carboxyamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 90122067
(3R)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 124854460
(3R)-4-propan-2-yl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 71694197
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide (CID 56776061) is (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide is C[C@@H](NC(=O)N1CCOC[C@H]1c1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1.
What is the InChIKey of (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide?
The InChIKey is KDAQQOIWCVTIQU-QRWLVFNGSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15(16-5-3-2-4-6-16)25-22(28)27-11-12-29-14-20(27)21-24-13-19(26-21)17-7-9-18(23)10-8-17/h2-10,13,15,20H,11-12,14H2,1H3,(H,24,26)(H,25,28)/t15-,20+/m1/s1.
What are the key properties of (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide?
(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-[(1R)-1-phenylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 56776061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).