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

C16H17FN4O3 — CID 95739760

IUPAC(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1ccccc1F
InChIInChI=1S/C16H17FN4O3/c1-20-8-10(7-18-20)19-16(23)15-14(21(2)13(22)9-24-15)11-5-3-4-6-12(11)17/h3-8,14-15H,9H2,1-2H3,(H,19,23)/t14-,15+/m0/s1
InChIKeyPOHNYQJAVNJGKH-LSDHHAIUSA-N
MW332.34 g/mol
LogP1.10
Rot. Bonds3

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

(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide (PubChem CID 95739760) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is (2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
PubChem CID95739760
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1ccccc1F
InChIInChI=1S/C16H17FN4O3/c1-20-8-10(7-18-20)19-16(23)15-14(21(2)13(22)9-24-15)11-5-3-4-6-12(11)17/h3-8,14-15H,9H2,1-2H3,(H,19,23)/t14-,15+/m0/s1
InChIKeyPOHNYQJAVNJGKH-LSDHHAIUSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide (CID 95739760) is (2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3S)-3-(2-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]1c1ccccc1F.
What is the InChIKey of (2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
The InChIKey is POHNYQJAVNJGKH-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-20-8-10(7-18-20)19-16(23)15-14(21(2)13(22)9-24-15)11-5-3-4-6-12(11)17/h3-8,14-15H,9H2,1-2H3,(H,19,23)/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide?
(2R,3S)-3-(2-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 (2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).