(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide

C16H20FN5O2 — CID 94119926

IUPAC(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1nncn1C
InChIInChI=1S/C16H20FN5O2/c1-11(15-20-18-10-21(15)2)19-16(23)22-7-8-24-14(9-22)12-3-5-13(17)6-4-12/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyHHCXLTOGGRWJQD-FZMZJTMJSA-N
MW333.37 g/mol
LogP1.80
Rot. Bonds3

About (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide

(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide (PubChem CID 94119926) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
PubChem CID94119926
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1nncn1C
InChIInChI=1S/C16H20FN5O2/c1-11(15-20-18-10-21(15)2)19-16(23)22-7-8-24-14(9-22)12-3-5-13(17)6-4-12/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyHHCXLTOGGRWJQD-FZMZJTMJSA-N
XLogP1.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
CID 94657836
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129342128
(2R)-2-(4-fluorophenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031044
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
(2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129329934
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
CID 94119922
(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 125169503
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 71934061
(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94021616
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one
CID 56815461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide (CID 94119926) is (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide is C[C@H](NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1nncn1C.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is HHCXLTOGGRWJQD-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-11(15-20-18-10-21(15)2)19-16(23)22-7-8-24-14(9-22)12-3-5-13(17)6-4-12/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,23)/t11-,14-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 94119926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).