(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide

C12H13N3O2 — CID 35427671

IUPAC(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)[C@H]1CCCO1
InChIInChI=1S/C12H13N3O2/c16-12(11-6-3-7-17-11)14-15-8-13-9-4-1-2-5-10(9)15/h1-2,4-5,8,11H,3,6-7H2,(H,14,16)/t11-/m1/s1
InChIKeyKCVGOUOBPNCRKH-LLVKDONJSA-N
MW231.25 g/mol
LogP1.29
Rot. Bonds2

About (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide

(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide (PubChem CID 35427671) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide
PubChem CID35427671
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)[C@H]1CCCO1
InChIInChI=1S/C12H13N3O2/c16-12(11-6-3-7-17-11)14-15-8-13-9-4-1-2-5-10(9)15/h1-2,4-5,8,11H,3,6-7H2,(H,14,16)/t11-/m1/s1
InChIKeyKCVGOUOBPNCRKH-LLVKDONJSA-N
XLogP1.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzimidazol-1-yl(oxolan-2-yl)methanone
CID 4560119
benzimidazol-1-ylcarbamic acid
CID 21218422
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
CID 35280653
N-(benzimidazol-1-yl)acetamide
CID 2318657
(2S)-N-(3-amino-1,2,4-triazol-4-yl)oxolane-2-carboxamide
CID 130778569
(2S,3S)-N-(benzimidazol-1-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 34338697
[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 146045298
N-phenyloxolane-2-carboxamide
CID 3453643
(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide
CID 41427577
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(benzimidazol-1-yl)urea
CID 56801825
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide (CID 35427671) is (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide is O=C(Nn1cnc2ccccc21)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide?
The InChIKey is KCVGOUOBPNCRKH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-12(11-6-3-7-17-11)14-15-8-13-9-4-1-2-5-10(9)15/h1-2,4-5,8,11H,3,6-7H2,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide?
(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide is sourced from PubChem (CID 35427671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).