(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide

C11H16F2N4O2 — CID 120940350

IUPAC(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nccn1C(F)F
InChIInChI=1S/C11H16F2N4O2/c1-7-9(15-3-5-19-7)10(18)16-6-8-14-2-4-17(8)11(12)13/h2,4,7,9,11,15H,3,5-6H2,1H3,(H,16,18)/t7-,9+/m1/s1
InChIKeyYOSOXMGUCUBOJK-APPZFPTMSA-N
MW274.27 g/mol
LogP0.27
Rot. Bonds4

About (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120940350) has the molecular formula C11H16F2N4O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120940350
Molecular FormulaC11H16F2N4O2
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nccn1C(F)F
InChIInChI=1S/C11H16F2N4O2/c1-7-9(15-3-5-19-7)10(18)16-6-8-14-2-4-17(8)11(12)13/h2,4,7,9,11,15H,3,5-6H2,1H3,(H,16,18)/t7-,9+/m1/s1
InChIKeyYOSOXMGUCUBOJK-APPZFPTMSA-N
XLogP0.27
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide (CID 120940350) is (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCc1nccn1C(F)F.
What is the InChIKey of (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is YOSOXMGUCUBOJK-APPZFPTMSA-N. The full InChI is InChI=1S/C11H16F2N4O2/c1-7-9(15-3-5-19-7)10(18)16-6-8-14-2-4-17(8)11(12)13/h2,4,7,9,11,15H,3,5-6H2,1H3,(H,16,18)/t7-,9+/m1/s1.
What are the key properties of (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 274.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120940350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).