(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide

C15H25N3O2 — CID 129399470

IUPAC(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
SMILESCC(C)Cn1ccnc1CNC(=O)[C@H]1CCCO[C@H]1C
InChIInChI=1S/C15H25N3O2/c1-11(2)10-18-7-6-16-14(18)9-17-15(19)13-5-4-8-20-12(13)3/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyMHIWMVJIHOLFIR-STQMWFEESA-N
MW279.38 g/mol
LogP1.97
Rot. Bonds5

About (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide

(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide (PubChem CID 129399470) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
PubChem CID129399470
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
SMILESCC(C)Cn1ccnc1CNC(=O)[C@H]1CCCO[C@H]1C
InChIInChI=1S/C15H25N3O2/c1-11(2)10-18-7-6-16-14(18)9-17-15(19)13-5-4-8-20-12(13)3/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyMHIWMVJIHOLFIR-STQMWFEESA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide (CID 129399470) is (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide is CC(C)Cn1ccnc1CNC(=O)[C@H]1CCCO[C@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide?
The InChIKey is MHIWMVJIHOLFIR-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)10-18-7-6-16-14(18)9-17-15(19)13-5-4-8-20-12(13)3/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide?
(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 129399470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).