(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine

C16H25N5O — CID 128976671

IUPAC(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine
SMILESCC(C)Cn1cc(CN[C@H]2CCO[C@@H]2c2nccn2C)cn1
InChIInChI=1S/C16H25N5O/c1-12(2)10-21-11-13(9-19-21)8-18-14-4-7-22-15(14)16-17-5-6-20(16)3/h5-6,9,11-12,14-15,18H,4,7-8,10H2,1-3H3/t14-,15-/m0/s1
InChIKeyFJONRPDLGUVFLU-GJZGRUSLSA-N
MW303.41 g/mol
LogP1.89
Rot. Bonds6

About (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine

(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine (PubChem CID 128976671) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine
PubChem CID128976671
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine
SMILESCC(C)Cn1cc(CN[C@H]2CCO[C@@H]2c2nccn2C)cn1
InChIInChI=1S/C16H25N5O/c1-12(2)10-21-11-13(9-19-21)8-18-14-4-7-22-15(14)16-17-5-6-20(16)3/h5-6,9,11-12,14-15,18H,4,7-8,10H2,1-3H3/t14-,15-/m0/s1
InChIKeyFJONRPDLGUVFLU-GJZGRUSLSA-N
XLogP1.89
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128966874
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine
CID 128976647
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]oxan-3-amine
CID 128973094
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976445
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976408
(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128970652
(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128996194
(2S,3S)-N-(2H-chromen-3-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 167859869
(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 154794407
(2S,3S)-N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128980770
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine
CID 154738050

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine (CID 128976671) is (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine is CC(C)Cn1cc(CN[C@H]2CCO[C@@H]2c2nccn2C)cn1.
What is the InChIKey of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine?
The InChIKey is FJONRPDLGUVFLU-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12(2)10-21-11-13(9-19-21)8-18-14-4-7-22-15(14)16-17-5-6-20(16)3/h5-6,9,11-12,14-15,18H,4,7-8,10H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine?
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine has a molecular weight of 303.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 128976671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).