(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone

C21H20N2O3 — CID 171907629

IUPAC(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CCc2oc(Cc3ccccc3)nc2C1
InChIInChI=1S/C21H20N2O3/c24-14-16-6-8-17(9-7-16)21(25)23-11-10-19-18(13-23)22-20(26-19)12-15-4-2-1-3-5-15/h1-9,24H,10-14H2
InChIKeyZMXWIZATQUNNLG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.96
Rot. Bonds4

About (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone

(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone (PubChem CID 171907629) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone
PubChem CID171907629
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CCc2oc(Cc3ccccc3)nc2C1
InChIInChI=1S/C21H20N2O3/c24-14-16-6-8-17(9-7-16)21(25)23-11-10-19-18(13-23)22-20(26-19)12-15-4-2-1-3-5-15/h1-9,24H,10-14H2
InChIKeyZMXWIZATQUNNLG-UHFFFAOYSA-N
XLogP2.96
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 169415595
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 169414628
methyl 3-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methoxybenzoate
CID 170508054
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 169413708
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 170510904
2-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,6-dimethylpyridin-4-one
CID 170507208
3-(benzenesulfonyl)-1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169416689
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 169411306
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[3-(pyrrolidin-3-ylmethyl)phenyl]methanone;hydrochloride
CID 171710977
2-benzyl-5-methylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169416004
1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(1,2-oxazol-5-yl)propan-1-one
CID 170511763
6-methyl-4-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 170502130

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone (CID 171907629) is (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone is O=C(c1ccc(CO)cc1)N1CCc2oc(Cc3ccccc3)nc2C1.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone?
The InChIKey is ZMXWIZATQUNNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-14-16-6-8-17(9-7-16)21(25)23-11-10-19-18(13-23)22-20(26-19)12-15-4-2-1-3-5-15/h1-9,24H,10-14H2.
What are the key properties of (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone?
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone has a molecular weight of 348.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 171907629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).