2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone

C18H17N3O3 — CID 124568654

IUPAC2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C18H17N3O3/c22-18(11-16-15-3-1-2-4-17(15)24-20-16)21-10-7-14(12-21)23-13-5-8-19-9-6-13/h1-6,8-9,14H,7,10-12H2/t14-/m1/s1
InChIKeyLKHPUXNYDNCJEA-CQSZACIVSA-N
MW323.35 g/mol
LogP2.45
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone

2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone (PubChem CID 124568654) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone
PubChem CID124568654
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CC[C@@H](Oc2ccncc2)C1
InChIInChI=1S/C18H17N3O3/c22-18(11-16-15-3-1-2-4-17(15)24-20-16)21-10-7-14(12-21)23-13-5-8-19-9-6-13/h1-6,8-9,14H,7,10-12H2/t14-/m1/s1
InChIKeyLKHPUXNYDNCJEA-CQSZACIVSA-N
XLogP2.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 121017622
2-(1,2-benzoxazol-3-yl)-1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 121017833
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
2-(1,2-benzoxazol-3-yl)-1-(3-pyrazol-1-ylpyrrolidin-1-yl)ethanone
CID 126946357
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-1-(4-chloro-3-methylpiperidin-1-yl)ethanone
CID 114682976
2-(1,2-benzoxazol-3-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63264257
2-(1,2-benzoxazol-3-yl)-1-[4-(chloromethyl)piperidin-1-yl]ethanone
CID 63397987
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427087
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone (CID 124568654) is 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone is O=C(Cc1noc2ccccc12)N1CC[C@@H](Oc2ccncc2)C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone?
The InChIKey is LKHPUXNYDNCJEA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(11-16-15-3-1-2-4-17(15)24-20-16)21-10-7-14(12-21)23-13-5-8-19-9-6-13/h1-6,8-9,14H,7,10-12H2/t14-/m1/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone has a molecular weight of 323.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124568654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).