(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide

C16H17FN4O3 — CID 95739882

IUPAC(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H17FN4O3/c1-20-8-12(7-18-20)19-16(23)15-14(21(2)13(22)9-24-15)10-4-3-5-11(17)6-10/h3-8,14-15H,9H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyKYJGWDGDUISQCI-GJZGRUSLSA-N
MW332.34 g/mol
LogP1.10
Rot. Bonds3

About (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide

(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide (PubChem CID 95739882) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
PubChem CID95739882
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H17FN4O3/c1-20-8-12(7-18-20)19-16(23)15-14(21(2)13(22)9-24-15)10-4-3-5-11(17)6-10/h3-8,14-15H,9H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyKYJGWDGDUISQCI-GJZGRUSLSA-N
XLogP1.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738065
(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739760
N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689485
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689506
(2S,3S)-3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739961
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924
(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739933
(2R,3R)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739930
(2S,3S)-N-(1-ethylpyrazol-4-yl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738008
3-(3-fluorophenyl)-N-(3-methoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689508
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 91945356

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide (CID 95739882) is (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The InChIKey is KYJGWDGDUISQCI-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-20-8-12(7-18-20)19-16(23)15-14(21(2)13(22)9-24-15)10-4-3-5-11(17)6-10/h3-8,14-15H,9H2,1-2H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).