(2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine

C17H19N5O — CID 166321921

IUPAC(2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
SMILESc1ccc(-n2ccnc2[C@@H]2OCC[C@H]2NCc2ccn[nH]2)cc1
InChIInChI=1S/C17H19N5O/c1-2-4-14(5-3-1)22-10-9-18-17(22)16-15(7-11-23-16)19-12-13-6-8-20-21-13/h1-6,8-10,15-16,19H,7,11-12H2,(H,20,21)/t15-,16-/m1/s1
InChIKeyIYBHIBWJXBOLRA-HZPDHXFCSA-N
MW309.37 g/mol
LogP2.22
Rot. Bonds5

About (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine

(2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine (PubChem CID 166321921) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
PubChem CID166321921
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine
SMILESc1ccc(-n2ccnc2[C@@H]2OCC[C@H]2NCc2ccn[nH]2)cc1
InChIInChI=1S/C17H19N5O/c1-2-4-14(5-3-1)22-10-9-18-17(22)16-15(7-11-23-16)19-12-13-6-8-20-21-13/h1-6,8-10,15-16,19H,7,11-12H2,(H,20,21)/t15-,16-/m1/s1
InChIKeyIYBHIBWJXBOLRA-HZPDHXFCSA-N
XLogP2.22
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine?
The IUPAC name of (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine (CID 166321921) is (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine is c1ccc(-n2ccnc2[C@@H]2OCC[C@H]2NCc2ccn[nH]2)cc1.
What is the InChIKey of (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine?
The InChIKey is IYBHIBWJXBOLRA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-4-14(5-3-1)22-10-9-18-17(22)16-15(7-11-23-16)19-12-13-6-8-20-21-13/h1-6,8-10,15-16,19H,7,11-12H2,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine?
(2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine has a molecular weight of 309.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-phenylimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 166321921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).