(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide

C17H19N5O2 — CID 129001507

IUPAC(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N5O2/c1-2-22-14(7-9-18-22)15-11(8-10-24-15)16(23)21-17-19-12-5-3-4-6-13(12)20-17/h3-7,9,11,15H,2,8,10H2,1H3,(H2,19,20,21,23)/t11-,15-/m1/s1
InChIKeyVYVPROUDPCJNBA-IAQYHMDHSA-N
MW325.37 g/mol
LogP2.50
Rot. Bonds4

About (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide

(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 129001507) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID129001507
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N5O2/c1-2-22-14(7-9-18-22)15-11(8-10-24-15)16(23)21-17-19-12-5-3-4-6-13(12)20-17/h3-7,9,11,15H,2,8,10H2,1H3,(H2,19,20,21,23)/t11-,15-/m1/s1
InChIKeyVYVPROUDPCJNBA-IAQYHMDHSA-N
XLogP2.50
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine
CID 154744650
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 146124527
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 136584076
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
CID 144524994

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide (CID 129001507) is (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide is CCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is VYVPROUDPCJNBA-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-22-14(7-9-18-22)15-11(8-10-24-15)16(23)21-17-19-12-5-3-4-6-13(12)20-17/h3-7,9,11,15H,2,8,10H2,1H3,(H2,19,20,21,23)/t11-,15-/m1/s1.
What are the key properties of (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide?
(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129001507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).