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

C19H19N3O3 — CID 170511763

IUPAC1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(1,2-oxazol-5-yl)propan-1-one
SMILESO=C(CCc1ccno1)N1CCc2oc(Cc3ccccc3)nc2C1
InChIInChI=1S/C19H19N3O3/c23-19(7-6-15-8-10-20-25-15)22-11-9-17-16(13-22)21-18(24-17)12-14-4-2-1-3-5-14/h1-5,8,10H,6-7,9,11-13H2
InChIKeyQVLKOHPXGKXWDV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.77
Rot. Bonds5

About 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

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 (PubChem CID 170511763) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(1,2-oxazol-5-yl)propan-1-one
PubChem CID170511763
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(1,2-oxazol-5-yl)propan-1-one
SMILESO=C(CCc1ccno1)N1CCc2oc(Cc3ccccc3)nc2C1
InChIInChI=1S/C19H19N3O3/c23-19(7-6-15-8-10-20-25-15)22-11-9-17-16(13-22)21-18(24-17)12-14-4-2-1-3-5-14/h1-5,8,10H,6-7,9,11-13H2
InChIKeyQVLKOHPXGKXWDV-UHFFFAOYSA-N
XLogP2.77
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-1-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169416689
5-[3-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 170509496
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 171907629
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 170510904
2-benzyl-5-methylsulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169416004
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 169415595
1-[2-(2-phenylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169415488
2-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1,6-dimethylpyridin-4-one
CID 170507208
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 169414628
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 169413708
4-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 169413605
N-[[(2R,5S)-5-[2-(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 170505723

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CCc1ccno1)N1CCc2oc(Cc3ccccc3)nc2C1.
What is the InChIKey of 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?
The InChIKey is QVLKOHPXGKXWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(7-6-15-8-10-20-25-15)22-11-9-17-16(13-22)21-18(24-17)12-14-4-2-1-3-5-14/h1-5,8,10H,6-7,9,11-13H2.
What are the key properties of 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?
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 has a molecular weight of 337.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170511763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).