(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine

C19H23N5O — CID 128976480

IUPAC(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine
SMILESCCn1nccc1CN[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1
InChIInChI=1S/C19H23N5O/c1-2-24-16(8-10-22-24)14-21-17-9-13-25-18(17)19-20-11-12-23(19)15-6-4-3-5-7-15/h3-8,10-12,17-18,21H,2,9,13-14H2,1H3/t17-,18-/m0/s1
InChIKeyQIONIROYLRHTGV-ROUUACIJSA-N
MW337.43 g/mol
LogP2.71
Rot. Bonds6

About (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine

(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine (PubChem CID 128976480) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine
PubChem CID128976480
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine
SMILESCCn1nccc1CN[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1
InChIInChI=1S/C19H23N5O/c1-2-24-16(8-10-22-24)14-21-17-9-13-25-18(17)19-20-11-12-23(19)15-6-4-3-5-7-15/h3-8,10-12,17-18,21H,2,9,13-14H2,1H3/t17-,18-/m0/s1
InChIKeyQIONIROYLRHTGV-ROUUACIJSA-N
XLogP2.71
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986246
(2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
CID 166321921
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976560
1-methyl-4-[[[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]amino]methyl]pyrrole-2-carbonitrile
CID 128976514
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005258
(3aR,4S,6aR)-2-benzyl-N-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 99854124
N-[(2S,3S)-2-(1-phenylimidazol-2-yl)oxolan-3-yl]oxane-3-carboxamide
CID 122132981
(2S,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124710219
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 128967905
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 128976336
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol
CID 128970916

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine (CID 128976480) is (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine is CCn1nccc1CN[C@H]1CCO[C@@H]1c1nccn1-c1ccccc1.
What is the InChIKey of (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine?
The InChIKey is QIONIROYLRHTGV-ROUUACIJSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-24-16(8-10-22-24)14-21-17-9-13-25-18(17)19-20-11-12-23(19)15-6-4-3-5-7-15/h3-8,10-12,17-18,21H,2,9,13-14H2,1H3/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine?
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine has a molecular weight of 337.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-phenylimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 128976480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).