(2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide

C11H15F3N4O2 — CID 152601601

IUPAC(2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide
SMILESN[C@@H]1CC[C@@H](C(=O)NCc2ncc(C(F)(F)F)[nH]2)OC1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)8-3-16-9(18-8)4-17-10(19)7-2-1-6(15)5-20-7/h3,6-7H,1-2,4-5,15H2,(H,16,18)(H,17,19)/t6-,7+/m1/s1
InChIKeyYXQQIIZWMSZCIS-RQJHMYQMSA-N
MW292.26 g/mol
LogP0.55
Rot. Bonds3

About (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide

(2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide (PubChem CID 152601601) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide
PubChem CID152601601
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name(2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide
SMILESN[C@@H]1CC[C@@H](C(=O)NCc2ncc(C(F)(F)F)[nH]2)OC1
InChIInChI=1S/C11H15F3N4O2/c12-11(13,14)8-3-16-9(18-8)4-17-10(19)7-2-1-6(15)5-20-7/h3,6-7H,1-2,4-5,15H2,(H,16,18)(H,17,19)/t6-,7+/m1/s1
InChIKeyYXQQIIZWMSZCIS-RQJHMYQMSA-N
XLogP0.55
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide?
The IUPAC name of (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide (CID 152601601) is (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide is N[C@@H]1CC[C@@H](C(=O)NCc2ncc(C(F)(F)F)[nH]2)OC1.
What is the InChIKey of (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide?
The InChIKey is YXQQIIZWMSZCIS-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c12-11(13,14)8-3-16-9(18-8)4-17-10(19)7-2-1-6(15)5-20-7/h3,6-7H,1-2,4-5,15H2,(H,16,18)(H,17,19)/t6-,7+/m1/s1.
What are the key properties of (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide?
(2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-amino-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 152601601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).