2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol

C19H20N2O3 — CID 56738395

IUPAC2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol
SMILESOCC(CO)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C19H20N2O3/c22-11-14(12-23)21-9-8-18-17(10-21)19(20-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,22-23H,8-12H2
InChIKeyPFFXMERFRQFKSQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.21
Rot. Bonds4

About 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol

2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol (PubChem CID 56738395) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol
PubChem CID56738395
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol
SMILESOCC(CO)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C19H20N2O3/c22-11-14(12-23)21-9-8-18-17(10-21)19(20-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,22-23H,8-12H2
InChIKeyPFFXMERFRQFKSQ-UHFFFAOYSA-N
XLogP2.21
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 56757044
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56760539
3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56750844
[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea
CID 56759573
(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one
CID 56869264
4,4,4-trifluoro-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 42591648
1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one
CID 42158190
(4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 56868970
6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyridine-2-carbonitrile
CID 56745627
5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56739620
5-[(4-methylthiadiazol-5-yl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56754916
5-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]-1H-pyrimidine-2,4-dione
CID 56866838

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol?
The IUPAC name of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol (CID 56738395) is 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol.
What is the SMILES notation for 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol?
The canonical SMILES for 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol is OCC(CO)N1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol?
The InChIKey is PFFXMERFRQFKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-11-14(12-23)21-9-8-18-17(10-21)19(20-24-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,22-23H,8-12H2.
What are the key properties of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol?
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol has a molecular weight of 324.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol is sourced from PubChem (CID 56738395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).