1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone

C15H14N2O2 — CID 140969858

IUPAC1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone
SMILESCC(=O)c1cnc2c(c1)OCN2Cc1ccccc1
InChIInChI=1S/C15H14N2O2/c1-11(18)13-7-14-15(16-8-13)17(10-19-14)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyRCROOJIAUBWVMF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.64
Rot. Bonds3

About 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone

1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone (PubChem CID 140969858) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone
PubChem CID140969858
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone
SMILESCC(=O)c1cnc2c(c1)OCN2Cc1ccccc1
InChIInChI=1S/C15H14N2O2/c1-11(18)13-7-14-15(16-8-13)17(10-19-14)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyRCROOJIAUBWVMF-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 57258718
4-benzyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 82379365
1-[4-[(3-benzyl-1,3-oxazolidin-2-ylidene)amino]phenyl]ethanone
CID 11543886
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177
3-acetyl-1-benzylazetidin-2-one
CID 13222627
5-benzyl-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134809976
(4-amino-1-benzyl-2,3-dihydropyrrol-5-yl)-(3,4-dimethoxyphenyl)methanone
CID 13254302
6-benzylpyridine-3-carboxylic acid;1-(6-benzyl-3-pyridinyl)ethanone
CID 161401140
[3-(3-chlorophenyl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994284
4-[[4-[(3-chlorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzoic acid
CID 53214174
1-(12-propan-2-yl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)ethanone
CID 167173596
1-benzyl-N-[(3S)-8-chloro-5-methyl-4-sulfanylidene-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide
CID 155357360

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone?
The IUPAC name of 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone (CID 140969858) is 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone is CC(=O)c1cnc2c(c1)OCN2Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone?
The InChIKey is RCROOJIAUBWVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(18)13-7-14-15(16-8-13)17(10-19-14)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone?
1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone has a molecular weight of 254.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 140969858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).