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

C12H18F2N4O2 — CID 120939408

IUPAC(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C12H18F2N4O2/c1-8-10(16-4-6-20-8)11(19)17(2)7-9-15-3-5-18(9)12(13)14/h3,5,8,10,12,16H,4,6-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyJZOOXFHGZMDNIW-SCZZXKLOSA-N
MW288.30 g/mol
LogP0.61
Rot. Bonds4

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

(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide (PubChem CID 120939408) has the molecular formula C12H18F2N4O2 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
PubChem CID120939408
Molecular FormulaC12H18F2N4O2
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C12H18F2N4O2/c1-8-10(16-4-6-20-8)11(19)17(2)7-9-15-3-5-18(9)12(13)14/h3,5,8,10,12,16H,4,6-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyJZOOXFHGZMDNIW-SCZZXKLOSA-N
XLogP0.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
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]-N,2-dimethylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide (CID 120939408) is (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1nccn1C(F)F.
What is the InChIKey of (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide?
The InChIKey is JZOOXFHGZMDNIW-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H18F2N4O2/c1-8-10(16-4-6-20-8)11(19)17(2)7-9-15-3-5-18(9)12(13)14/h3,5,8,10,12,16H,4,6-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide?
(2R,3S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 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]-N,2-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 120939408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).